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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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_RNAco-46fe8224/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: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
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: 1
Temperature: 1.100000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
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: 1
Temperature: 1.150000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1971.066637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.066637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.066637 (E_RNA)
where:
Base-Base interactions energy: -1350.235
where: short stacking energy: -563.747
Base-Backbone interact. energy: -2.762
local terms energy: -618.069573
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -176.775
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1969.502470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.502470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.502470 (E_RNA)
where:
Base-Base interactions energy: -1342.293
where: short stacking energy: -566.215
Base-Backbone interact. energy: -3.054
local terms energy: -624.155002
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -133.889
flat angles C4'-P-C4' energy: -112.900
flat angles P-C4'-P energy: -94.477
tors. eta vs tors. theta energy: -177.513
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: 2
Temperature: 0.950000
Total energy: -1967.642386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.642386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.642386 (E_RNA)
where:
Base-Base interactions energy: -1345.350
where: short stacking energy: -561.702
Base-Backbone interact. energy: -2.762
local terms energy: -619.530123
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.337
flat angles P-C4'-P energy: -91.176
tors. eta vs tors. theta energy: -176.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1967.642299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.642299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.642299 (E_RNA)
where:
Base-Base interactions energy: -1345.350
where: short stacking energy: -561.701
Base-Backbone interact. energy: -2.762
local terms energy: -619.530123
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.337
flat angles P-C4'-P energy: -91.176
tors. eta vs tors. theta energy: -176.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1970.523294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.523294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.523294 (E_RNA)
where:
Base-Base interactions energy: -1348.778
where: short stacking energy: -563.889
Base-Backbone interact. energy: -2.055
local terms energy: -619.690111
where:
bonds (distance) C4'-P energy: -111.480
bonds (distance) P-C4' energy: -129.487
flat angles C4'-P-C4' energy: -111.766
flat angles P-C4'-P energy: -90.942
tors. eta vs tors. theta energy: -176.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1969.760739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.760739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.760739 (E_RNA)
where:
Base-Base interactions energy: -1351.986
where: short stacking energy: -562.617
Base-Backbone interact. energy: -2.727
local terms energy: -615.046853
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -131.459
flat angles C4'-P-C4' energy: -114.125
flat angles P-C4'-P energy: -90.274
tors. eta vs tors. theta energy: -176.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1970.980152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.980152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.980152 (E_RNA)
where:
Base-Base interactions energy: -1357.433
where: short stacking energy: -566.963
Base-Backbone interact. energy: -1.328
local terms energy: -612.219543
where:
bonds (distance) C4'-P energy: -103.139
bonds (distance) P-C4' energy: -127.437
flat angles C4'-P-C4' energy: -115.378
flat angles P-C4'-P energy: -90.485
tors. eta vs tors. theta energy: -175.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1966.674955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.674955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.674955 (E_RNA)
where:
Base-Base interactions energy: -1344.387
where: short stacking energy: -560.736
Base-Backbone interact. energy: -2.762
local terms energy: -619.525324
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.337
flat angles P-C4'-P energy: -91.213
tors. eta vs tors. theta energy: -176.937
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1966.929852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.929852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.929852 (E_RNA)
where:
Base-Base interactions energy: -1344.510
where: short stacking energy: -560.858
Base-Backbone interact. energy: -2.762
local terms energy: -619.657894
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.455
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -177.102
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1966.930390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.930390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.930390 (E_RNA)
where:
Base-Base interactions energy: -1344.510
where: short stacking energy: -560.858
Base-Backbone interact. energy: -2.762
local terms energy: -619.657894
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.455
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -177.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1966.930908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.930908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.930908 (E_RNA)
where:
Base-Base interactions energy: -1344.511
where: short stacking energy: -560.858
Base-Backbone interact. energy: -2.762
local terms energy: -619.657894
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -137.677
flat angles C4'-P-C4' energy: -113.455
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -177.102
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1940.541614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.541614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.541614 (E_RNA)
where:
Base-Base interactions energy: -1345.567
where: short stacking energy: -574.892
Base-Backbone interact. energy: -0.823
local terms energy: -594.150712
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -115.559
flat angles C4'-P-C4' energy: -129.234
flat angles P-C4'-P energy: -75.635
tors. eta vs tors. theta energy: -169.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1901.675336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.675336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.675336 (E_RNA)
where:
Base-Base interactions energy: -1295.993
where: short stacking energy: -553.108
Base-Backbone interact. energy: -1.018
local terms energy: -604.664074
where:
bonds (distance) C4'-P energy: -91.394
bonds (distance) P-C4' energy: -122.706
flat angles C4'-P-C4' energy: -126.729
flat angles P-C4'-P energy: -86.835
tors. eta vs tors. theta energy: -176.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1837.042809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.042809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.042809 (E_RNA)
where:
Base-Base interactions energy: -1269.112
where: short stacking energy: -547.332
Base-Backbone interact. energy: -2.361
local terms energy: -565.569982
where:
bonds (distance) C4'-P energy: -102.490
bonds (distance) P-C4' energy: -96.891
flat angles C4'-P-C4' energy: -110.137
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -175.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1778.561340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.561340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.561340 (E_RNA)
where:
Base-Base interactions energy: -1223.677
where: short stacking energy: -516.880
Base-Backbone interact. energy: 0.598
local terms energy: -555.481961
where:
bonds (distance) C4'-P energy: -84.722
bonds (distance) P-C4' energy: -107.307
flat angles C4'-P-C4' energy: -119.469
flat angles P-C4'-P energy: -86.423
tors. eta vs tors. theta energy: -157.559
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1718.722231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.722231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.722231 (E_RNA)
where:
Base-Base interactions energy: -1208.141
where: short stacking energy: -529.992
Base-Backbone interact. energy: -3.597
local terms energy: -506.984272
where:
bonds (distance) C4'-P energy: -94.329
bonds (distance) P-C4' energy: -86.005
flat angles C4'-P-C4' energy: -101.513
flat angles P-C4'-P energy: -67.709
tors. eta vs tors. theta energy: -157.428
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1686.914827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.914827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.914827 (E_RNA)
where:
Base-Base interactions energy: -1171.799
where: short stacking energy: -508.627
Base-Backbone interact. energy: -0.477
local terms energy: -514.638736
where:
bonds (distance) C4'-P energy: -86.230
bonds (distance) P-C4' energy: -86.072
flat angles C4'-P-C4' energy: -119.115
flat angles P-C4'-P energy: -74.230
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1553.779376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.779376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.779376 (E_RNA)
where:
Base-Base interactions energy: -1041.752
where: short stacking energy: -450.437
Base-Backbone interact. energy: -1.749
local terms energy: -510.278112
where:
bonds (distance) C4'-P energy: -97.561
bonds (distance) P-C4' energy: -105.526
flat angles C4'-P-C4' energy: -99.855
flat angles P-C4'-P energy: -64.888
tors. eta vs tors. theta energy: -142.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1402.891929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.891929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.891929 (E_RNA)
where:
Base-Base interactions energy: -922.449
where: short stacking energy: -422.727
Base-Backbone interact. energy: -0.787
local terms energy: -479.655387
where:
bonds (distance) C4'-P energy: -91.057
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -103.553
flat angles P-C4'-P energy: -72.886
tors. eta vs tors. theta energy: -120.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1450.784413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.784413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.784413 (E_RNA)
where:
Base-Base interactions energy: -976.151
where: short stacking energy: -443.661
Base-Backbone interact. energy: -2.302
local terms energy: -472.331777
where:
bonds (distance) C4'-P energy: -90.695
bonds (distance) P-C4' energy: -95.241
flat angles C4'-P-C4' energy: -105.149
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -119.467
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1270.064157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.064157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.064157 (E_RNA)
where:
Base-Base interactions energy: -854.300
where: short stacking energy: -366.680
Base-Backbone interact. energy: -0.292
local terms energy: -415.472255
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -83.867
flat angles C4'-P-C4' energy: -98.920
flat angles P-C4'-P energy: -67.180
tors. eta vs tors. theta energy: -95.117
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: 4
Temperature: 0.900000
Total energy: -1922.506259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.506259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.506259 (E_RNA)
where:
Base-Base interactions energy: -1343.419
where: short stacking energy: -574.853
Base-Backbone interact. energy: -2.654
local terms energy: -576.432528
where:
bonds (distance) C4'-P energy: -103.235
bonds (distance) P-C4' energy: -107.082
flat angles C4'-P-C4' energy: -114.687
flat angles P-C4'-P energy: -82.986
tors. eta vs tors. theta energy: -168.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1836.274464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.274464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.274464 (E_RNA)
where:
Base-Base interactions energy: -1252.417
where: short stacking energy: -559.535
Base-Backbone interact. energy: -1.241
local terms energy: -582.616352
where:
bonds (distance) C4'-P energy: -96.298
bonds (distance) P-C4' energy: -112.686
flat angles C4'-P-C4' energy: -114.335
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: -174.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1836.567080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.567080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.567080 (E_RNA)
where:
Base-Base interactions energy: -1276.536
where: short stacking energy: -536.953
Base-Backbone interact. energy: -3.310
local terms energy: -556.721983
where:
bonds (distance) C4'-P energy: -109.777
bonds (distance) P-C4' energy: -95.546
flat angles C4'-P-C4' energy: -109.117
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: -173.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1752.094011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.094011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.094011 (E_RNA)
where:
Base-Base interactions energy: -1202.174
where: short stacking energy: -539.233
Base-Backbone interact. energy: -2.549
local terms energy: -547.371682
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -84.863
flat angles C4'-P-C4' energy: -111.101
flat angles P-C4'-P energy: -87.547
tors. eta vs tors. theta energy: -154.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1688.388478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.388478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.388478 (E_RNA)
where:
Base-Base interactions energy: -1149.781
where: short stacking energy: -490.277
Base-Backbone interact. energy: -2.823
local terms energy: -535.784736
where:
bonds (distance) C4'-P energy: -93.072
bonds (distance) P-C4' energy: -89.206
flat angles C4'-P-C4' energy: -116.367
flat angles P-C4'-P energy: -93.766
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1649.330849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.330849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.330849 (E_RNA)
where:
Base-Base interactions energy: -1120.019
where: short stacking energy: -502.455
Base-Backbone interact. energy: -1.282
local terms energy: -528.030510
where:
bonds (distance) C4'-P energy: -88.083
bonds (distance) P-C4' energy: -104.411
flat angles C4'-P-C4' energy: -111.036
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: -150.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1524.952174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.952174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.952174 (E_RNA)
where:
Base-Base interactions energy: -1025.452
where: short stacking energy: -442.658
Base-Backbone interact. energy: -0.038
local terms energy: -499.461343
where:
bonds (distance) C4'-P energy: -91.824
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -116.415
flat angles P-C4'-P energy: -71.554
tors. eta vs tors. theta energy: -128.626
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: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1360.682157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.682157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.682157 (E_RNA)
where:
Base-Base interactions energy: -906.810
where: short stacking energy: -407.566
Base-Backbone interact. energy: -1.872
local terms energy: -452.000105
where:
bonds (distance) C4'-P energy: -93.779
bonds (distance) P-C4' energy: -102.565
flat angles C4'-P-C4' energy: -97.539
flat angles P-C4'-P energy: -64.902
tors. eta vs tors. theta energy: -93.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1392.147077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.147077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.147077 (E_RNA)
where:
Base-Base interactions energy: -972.038
where: short stacking energy: -416.271
Base-Backbone interact. energy: -2.628
local terms energy: -417.480709
where:
bonds (distance) C4'-P energy: -77.759
bonds (distance) P-C4' energy: -75.683
flat angles C4'-P-C4' energy: -85.275
flat angles P-C4'-P energy: -65.721
tors. eta vs tors. theta energy: -113.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1252.992335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.992335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.992335 (E_RNA)
where:
Base-Base interactions energy: -850.786
where: short stacking energy: -359.992
Base-Backbone interact. energy: -0.244
local terms energy: -401.962867
where:
bonds (distance) C4'-P energy: -81.775
bonds (distance) P-C4' energy: -85.306
flat angles C4'-P-C4' energy: -90.365
flat angles P-C4'-P energy: -54.402
tors. eta vs tors. theta energy: -90.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1928.306472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.306472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.306472 (E_RNA)
where:
Base-Base interactions energy: -1318.284
where: short stacking energy: -577.874
Base-Backbone interact. energy: -5.619
local terms energy: -604.404033
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -120.569
flat angles P-C4'-P energy: -96.970
tors. eta vs tors. theta energy: -174.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1831.978051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.978051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.978051 (E_RNA)
where:
Base-Base interactions energy: -1257.067
where: short stacking energy: -551.244
Base-Backbone interact. energy: -1.384
local terms energy: -573.526281
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -109.909
flat angles C4'-P-C4' energy: -118.158
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -165.258
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1791.881191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.881191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.881191 (E_RNA)
where:
Base-Base interactions energy: -1240.922
where: short stacking energy: -530.707
Base-Backbone interact. energy: -4.259
local terms energy: -546.700966
where:
bonds (distance) C4'-P energy: -92.048
bonds (distance) P-C4' energy: -96.594
flat angles C4'-P-C4' energy: -118.378
flat angles P-C4'-P energy: -73.938
tors. eta vs tors. theta energy: -165.742
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1776.421412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.421412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.421412 (E_RNA)
where:
Base-Base interactions energy: -1203.537
where: short stacking energy: -542.860
Base-Backbone interact. energy: -0.686
local terms energy: -572.197714
where:
bonds (distance) C4'-P energy: -105.223
bonds (distance) P-C4' energy: -106.066
flat angles C4'-P-C4' energy: -116.023
flat angles P-C4'-P energy: -72.972
tors. eta vs tors. theta energy: -171.913
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1643.008430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.008430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.008430 (E_RNA)
where:
Base-Base interactions energy: -1135.346
where: short stacking energy: -492.290
Base-Backbone interact. energy: -0.718
local terms energy: -506.944784
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -89.611
flat angles C4'-P-C4' energy: -107.028
flat angles P-C4'-P energy: -73.665
tors. eta vs tors. theta energy: -135.983
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1621.350280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.350280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.350280 (E_RNA)
where:
Base-Base interactions energy: -1099.876
where: short stacking energy: -478.939
Base-Backbone interact. energy: 4.365
local terms energy: -525.839737
where:
bonds (distance) C4'-P energy: -82.341
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -109.903
flat angles P-C4'-P energy: -77.079
tors. eta vs tors. theta energy: -151.618
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1547.372027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.372027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.372027 (E_RNA)
where:
Base-Base interactions energy: -1065.294
where: short stacking energy: -439.166
Base-Backbone interact. energy: 4.773
local terms energy: -486.851518
where:
bonds (distance) C4'-P energy: -90.616
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -98.487
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -137.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1445.742284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.742284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.742284 (E_RNA)
where:
Base-Base interactions energy: -983.069
where: short stacking energy: -427.344
Base-Backbone interact. energy: 1.830
local terms energy: -464.503654
where:
bonds (distance) C4'-P energy: -89.323
bonds (distance) P-C4' energy: -88.050
flat angles C4'-P-C4' energy: -111.059
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -105.317
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: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1298.300419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.300419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.300419 (E_RNA)
where:
Base-Base interactions energy: -893.091
where: short stacking energy: -371.376
Base-Backbone interact. energy: -3.223
local terms energy: -401.986190
where:
bonds (distance) C4'-P energy: -82.358
bonds (distance) P-C4' energy: -96.210
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: -79.693
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: 5
Temperature: 1.350000
Total energy: -1200.708721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.708721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.708721 (E_RNA)
where:
Base-Base interactions energy: -810.988
where: short stacking energy: -353.725
Base-Backbone interact. energy: -0.170
local terms energy: -389.550993
where:
bonds (distance) C4'-P energy: -75.128
bonds (distance) P-C4' energy: -66.268
flat angles C4'-P-C4' energy: -93.966
flat angles P-C4'-P energy: -63.605
tors. eta vs tors. theta energy: -90.585
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1905.500779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.500779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.500779 (E_RNA)
where:
Base-Base interactions energy: -1319.395
where: short stacking energy: -596.055
Base-Backbone interact. energy: -0.129
local terms energy: -585.977185
where:
bonds (distance) C4'-P energy: -105.230
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -130.582
flat angles P-C4'-P energy: -81.268
tors. eta vs tors. theta energy: -171.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1883.083529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.083529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.083529 (E_RNA)
where:
Base-Base interactions energy: -1307.152
where: short stacking energy: -563.350
Base-Backbone interact. energy: -6.322
local terms energy: -569.609947
where:
bonds (distance) C4'-P energy: -89.885
bonds (distance) P-C4' energy: -107.957
flat angles C4'-P-C4' energy: -123.656
flat angles P-C4'-P energy: -76.907
tors. eta vs tors. theta energy: -171.206
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: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1766.020016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.020016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.020016 (E_RNA)
where:
Base-Base interactions energy: -1190.284
where: short stacking energy: -543.483
Base-Backbone interact. energy: -1.904
local terms energy: -573.831466
where:
bonds (distance) C4'-P energy: -100.928
bonds (distance) P-C4' energy: -111.852
flat angles C4'-P-C4' energy: -118.837
flat angles P-C4'-P energy: -81.185
tors. eta vs tors. theta energy: -161.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1685.025548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.025548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.025548 (E_RNA)
where:
Base-Base interactions energy: -1127.531
where: short stacking energy: -503.454
Base-Backbone interact. energy: -1.925
local terms energy: -555.569785
where:
bonds (distance) C4'-P energy: -104.805
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -118.171
flat angles P-C4'-P energy: -83.336
tors. eta vs tors. theta energy: -143.220
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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1650.274021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.274021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.274021 (E_RNA)
where:
Base-Base interactions energy: -1122.535
where: short stacking energy: -506.290
Base-Backbone interact. energy: -2.221
local terms energy: -525.518166
where:
bonds (distance) C4'-P energy: -104.445
bonds (distance) P-C4' energy: -93.628
flat angles C4'-P-C4' energy: -103.480
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -152.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1576.823795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.823795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.823795 (E_RNA)
where:
Base-Base interactions energy: -1065.173
where: short stacking energy: -478.607
Base-Backbone interact. energy: -2.175
local terms energy: -509.475114
where:
bonds (distance) C4'-P energy: -94.506
bonds (distance) P-C4' energy: -104.371
flat angles C4'-P-C4' energy: -102.501
flat angles P-C4'-P energy: -74.892
tors. eta vs tors. theta energy: -133.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1524.582089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.582089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.582089 (E_RNA)
where:
Base-Base interactions energy: -1048.871
where: short stacking energy: -454.564
Base-Backbone interact. energy: -2.195
local terms energy: -473.516099
where:
bonds (distance) C4'-P energy: -101.523
bonds (distance) P-C4' energy: -82.629
flat angles C4'-P-C4' energy: -100.639
flat angles P-C4'-P energy: -58.973
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1436.555527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.555527 (E_RNA)
where:
Base-Base interactions energy: -1000.952
where: short stacking energy: -420.671
Base-Backbone interact. energy: -0.906
local terms energy: -434.696784
where:
bonds (distance) C4'-P energy: -78.432
bonds (distance) P-C4' energy: -85.848
flat angles C4'-P-C4' energy: -99.004
flat angles P-C4'-P energy: -62.043
tors. eta vs tors. theta energy: -109.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1346.461606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.461606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.461606 (E_RNA)
where:
Base-Base interactions energy: -925.962
where: short stacking energy: -378.364
Base-Backbone interact. energy: 0.525
local terms energy: -421.024735
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -87.896
flat angles C4'-P-C4' energy: -90.703
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -103.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1092.417585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.417585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.417585 (E_RNA)
where:
Base-Base interactions energy: -712.908
where: short stacking energy: -315.524
Base-Backbone interact. energy: -0.456
local terms energy: -379.054088
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -84.205
flat angles C4'-P-C4' energy: -87.208
flat angles P-C4'-P energy: -54.178
tors. eta vs tors. theta energy: -67.425
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1893.879543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.879543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.879543 (E_RNA)
where:
Base-Base interactions energy: -1299.274
where: short stacking energy: -561.656
Base-Backbone interact. energy: -0.635
local terms energy: -593.970998
where:
bonds (distance) C4'-P energy: -95.703
bonds (distance) P-C4' energy: -113.479
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -88.788
tors. eta vs tors. theta energy: -166.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1873.402474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.402474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.402474 (E_RNA)
where:
Base-Base interactions energy: -1289.892
where: short stacking energy: -552.581
Base-Backbone interact. energy: -4.575
local terms energy: -578.935430
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -104.245
flat angles C4'-P-C4' energy: -120.436
flat angles P-C4'-P energy: -91.290
tors. eta vs tors. theta energy: -167.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1786.561290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.561290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.561290 (E_RNA)
where:
Base-Base interactions energy: -1221.775
where: short stacking energy: -541.634
Base-Backbone interact. energy: -2.887
local terms energy: -561.899906
where:
bonds (distance) C4'-P energy: -102.387
bonds (distance) P-C4' energy: -111.708
flat angles C4'-P-C4' energy: -113.224
flat angles P-C4'-P energy: -73.381
tors. eta vs tors. theta energy: -161.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1707.889275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.889275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.889275 (E_RNA)
where:
Base-Base interactions energy: -1165.276
where: short stacking energy: -485.353
Base-Backbone interact. energy: -1.037
local terms energy: -541.576151
where:
bonds (distance) C4'-P energy: -91.304
bonds (distance) P-C4' energy: -109.001
flat angles C4'-P-C4' energy: -107.251
flat angles P-C4'-P energy: -87.266
tors. eta vs tors. theta energy: -146.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1631.836719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.836719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.836719 (E_RNA)
where:
Base-Base interactions energy: -1102.662
where: short stacking energy: -476.037
Base-Backbone interact. energy: -2.592
local terms energy: -526.582366
where:
bonds (distance) C4'-P energy: -103.255
bonds (distance) P-C4' energy: -99.799
flat angles C4'-P-C4' energy: -104.665
flat angles P-C4'-P energy: -74.343
tors. eta vs tors. theta energy: -144.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1611.536498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.536498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.536498 (E_RNA)
where:
Base-Base interactions energy: -1097.587
where: short stacking energy: -500.338
Base-Backbone interact. energy: -2.164
local terms energy: -511.785602
where:
bonds (distance) C4'-P energy: -91.745
bonds (distance) P-C4' energy: -94.491
flat angles C4'-P-C4' energy: -114.166
flat angles P-C4'-P energy: -65.922
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: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1469.546731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.546731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.546731 (E_RNA)
where:
Base-Base interactions energy: -1021.659
where: short stacking energy: -437.228
Base-Backbone interact. energy: -1.136
local terms energy: -446.751250
where:
bonds (distance) C4'-P energy: -89.091
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -49.361
tors. eta vs tors. theta energy: -120.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1462.071745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.071745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.071745 (E_RNA)
where:
Base-Base interactions energy: -998.014
where: short stacking energy: -425.350
Base-Backbone interact. energy: 3.142
local terms energy: -467.200447
where:
bonds (distance) C4'-P energy: -83.754
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -109.074
flat angles P-C4'-P energy: -60.665
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1299.613853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.613853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.613853 (E_RNA)
where:
Base-Base interactions energy: -877.559
where: short stacking energy: -361.005
Base-Backbone interact. energy: -0.743
local terms energy: -421.311498
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -96.307
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -59.543
tors. eta vs tors. theta energy: -89.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1087.912479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.912479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.912479 (E_RNA)
where:
Base-Base interactions energy: -705.873
where: short stacking energy: -317.529
Base-Backbone interact. energy: 0.087
local terms energy: -382.127371
where:
bonds (distance) C4'-P energy: -81.007
bonds (distance) P-C4' energy: -99.386
flat angles C4'-P-C4' energy: -88.516
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -71.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1908.218250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.218250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.218250 (E_RNA)
where:
Base-Base interactions energy: -1321.602
where: short stacking energy: -571.637
Base-Backbone interact. energy: -0.395
local terms energy: -586.220933
where:
bonds (distance) C4'-P energy: -109.264
bonds (distance) P-C4' energy: -101.826
flat angles C4'-P-C4' energy: -110.351
flat angles P-C4'-P energy: -90.342
tors. eta vs tors. theta energy: -174.438
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: 8
Temperature: 0.950000
Total energy: -1844.362825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.362825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.362825 (E_RNA)
where:
Base-Base interactions energy: -1270.330
where: short stacking energy: -545.141
Base-Backbone interact. energy: -3.157
local terms energy: -570.876129
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -118.092
flat angles P-C4'-P energy: -83.273
tors. eta vs tors. theta energy: -164.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1808.161825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.161825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.161825 (E_RNA)
where:
Base-Base interactions energy: -1238.535
where: short stacking energy: -565.033
Base-Backbone interact. energy: -3.055
local terms energy: -566.571810
where:
bonds (distance) C4'-P energy: -103.002
bonds (distance) P-C4' energy: -97.944
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -86.533
tors. eta vs tors. theta energy: -166.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1700.924746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.924746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.924746 (E_RNA)
where:
Base-Base interactions energy: -1171.452
where: short stacking energy: -504.665
Base-Backbone interact. energy: -2.845
local terms energy: -526.628005
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -115.815
flat angles P-C4'-P energy: -67.959
tors. eta vs tors. theta energy: -147.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1629.337401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.337401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.337401 (E_RNA)
where:
Base-Base interactions energy: -1066.966
where: short stacking energy: -475.424
Base-Backbone interact. energy: -4.042
local terms energy: -558.329961
where:
bonds (distance) C4'-P energy: -105.880
bonds (distance) P-C4' energy: -115.033
flat angles C4'-P-C4' energy: -114.057
flat angles P-C4'-P energy: -79.149
tors. eta vs tors. theta energy: -144.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1648.283993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.283993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.283993 (E_RNA)
where:
Base-Base interactions energy: -1113.957
where: short stacking energy: -490.697
Base-Backbone interact. energy: -0.965
local terms energy: -533.361222
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -97.045
flat angles C4'-P-C4' energy: -116.958
flat angles P-C4'-P energy: -83.677
tors. eta vs tors. theta energy: -150.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1468.845794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.845794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.845794 (E_RNA)
where:
Base-Base interactions energy: -993.573
where: short stacking energy: -427.275
Base-Backbone interact. energy: -0.768
local terms energy: -474.504924
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -95.911
flat angles P-C4'-P energy: -73.581
tors. eta vs tors. theta energy: -121.952
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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1433.655567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.655567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.655567 (E_RNA)
where:
Base-Base interactions energy: -999.157
where: short stacking energy: -407.680
Base-Backbone interact. energy: 7.310
local terms energy: -441.809377
where:
bonds (distance) C4'-P energy: -83.270
bonds (distance) P-C4' energy: -88.535
flat angles C4'-P-C4' energy: -95.755
flat angles P-C4'-P energy: -69.704
tors. eta vs tors. theta energy: -104.545
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1267.944515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.944515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.944515 (E_RNA)
where:
Base-Base interactions energy: -833.425
where: short stacking energy: -360.774
Base-Backbone interact. energy: 1.615
local terms energy: -436.134511
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -84.342
flat angles C4'-P-C4' energy: -108.655
flat angles P-C4'-P energy: -58.975
tors. eta vs tors. theta energy: -92.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1149.826663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.826663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.826663 (E_RNA)
where:
Base-Base interactions energy: -735.166
where: short stacking energy: -323.242
Base-Backbone interact. energy: 2.841
local terms energy: -417.501572
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -90.144
flat angles C4'-P-C4' energy: -101.353
flat angles P-C4'-P energy: -40.258
tors. eta vs tors. theta energy: -83.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1916.794133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.794133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.794133 (E_RNA)
where:
Base-Base interactions energy: -1289.291
where: short stacking energy: -566.191
Base-Backbone interact. energy: -4.677
local terms energy: -622.825485
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -116.850
flat angles C4'-P-C4' energy: -116.485
flat angles P-C4'-P energy: -99.180
tors. eta vs tors. theta energy: -175.338
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: 9
Temperature: 0.950000
Total energy: -1835.328563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.328563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.328563 (E_RNA)
where:
Base-Base interactions energy: -1239.994
where: short stacking energy: -547.670
Base-Backbone interact. energy: -1.707
local terms energy: -593.627461
where:
bonds (distance) C4'-P energy: -113.456
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -120.363
flat angles P-C4'-P energy: -92.182
tors. eta vs tors. theta energy: -161.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1745.862840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.862840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.862840 (E_RNA)
where:
Base-Base interactions energy: -1214.487
where: short stacking energy: -534.431
Base-Backbone interact. energy: 0.540
local terms energy: -531.915197
where:
bonds (distance) C4'-P energy: -105.836
bonds (distance) P-C4' energy: -93.396
flat angles C4'-P-C4' energy: -107.827
flat angles P-C4'-P energy: -76.766
tors. eta vs tors. theta energy: -148.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1688.003514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.003514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.003514 (E_RNA)
where:
Base-Base interactions energy: -1158.006
where: short stacking energy: -477.228
Base-Backbone interact. energy: 0.102
local terms energy: -530.100296
where:
bonds (distance) C4'-P energy: -86.248
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -122.163
flat angles P-C4'-P energy: -72.303
tors. eta vs tors. theta energy: -137.323
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1632.156708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.156708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.156708 (E_RNA)
where:
Base-Base interactions energy: -1095.668
where: short stacking energy: -502.431
Base-Backbone interact. energy: -0.004
local terms energy: -536.484767
where:
bonds (distance) C4'-P energy: -87.606
bonds (distance) P-C4' energy: -104.684
flat angles C4'-P-C4' energy: -113.971
flat angles P-C4'-P energy: -78.745
tors. eta vs tors. theta energy: -151.479
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1612.880908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.880908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.880908 (E_RNA)
where:
Base-Base interactions energy: -1092.282
where: short stacking energy: -477.583
Base-Backbone interact. energy: -2.644
local terms energy: -517.954501
where:
bonds (distance) C4'-P energy: -93.228
bonds (distance) P-C4' energy: -100.400
flat angles C4'-P-C4' energy: -116.174
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: -142.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1490.730177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.730177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.730177 (E_RNA)
where:
Base-Base interactions energy: -1003.165
where: short stacking energy: -433.142
Base-Backbone interact. energy: -1.653
local terms energy: -485.912650
where:
bonds (distance) C4'-P energy: -97.904
bonds (distance) P-C4' energy: -99.719
flat angles C4'-P-C4' energy: -93.704
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -124.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1380.476913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.476913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.476913 (E_RNA)
where:
Base-Base interactions energy: -942.866
where: short stacking energy: -412.914
Base-Backbone interact. energy: 1.803
local terms energy: -439.413749
where:
bonds (distance) C4'-P energy: -87.962
bonds (distance) P-C4' energy: -87.639
flat angles C4'-P-C4' energy: -89.927
flat angles P-C4'-P energy: -65.281
tors. eta vs tors. theta energy: -108.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1320.484293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.484293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.484293 (E_RNA)
where:
Base-Base interactions energy: -907.129
where: short stacking energy: -365.101
Base-Backbone interact. energy: -0.767
local terms energy: -412.589031
where:
bonds (distance) C4'-P energy: -79.400
bonds (distance) P-C4' energy: -79.735
flat angles C4'-P-C4' energy: -89.692
flat angles P-C4'-P energy: -65.844
tors. eta vs tors. theta energy: -97.918
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1197.127661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.127661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.127661 (E_RNA)
where:
Base-Base interactions energy: -799.654
where: short stacking energy: -356.058
Base-Backbone interact. energy: -0.693
local terms energy: -396.779771
where:
bonds (distance) C4'-P energy: -64.543
bonds (distance) P-C4' energy: -102.747
flat angles C4'-P-C4' energy: -92.893
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -82.493
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1869.523544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.523544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.523544 (E_RNA)
where:
Base-Base interactions energy: -1273.111
where: short stacking energy: -565.781
Base-Backbone interact. energy: -3.492
local terms energy: -592.920254
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -115.803
flat angles P-C4'-P energy: -97.071
tors. eta vs tors. theta energy: -170.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1842.828581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.828581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.828581 (E_RNA)
where:
Base-Base interactions energy: -1257.563
where: short stacking energy: -531.307
Base-Backbone interact. energy: -1.719
local terms energy: -583.547177
where:
bonds (distance) C4'-P energy: -102.467
bonds (distance) P-C4' energy: -104.869
flat angles C4'-P-C4' energy: -119.290
flat angles P-C4'-P energy: -93.610
tors. eta vs tors. theta energy: -163.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1769.720649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.720649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.720649 (E_RNA)
where:
Base-Base interactions energy: -1210.226
where: short stacking energy: -540.729
Base-Backbone interact. energy: -0.026
local terms energy: -559.469571
where:
bonds (distance) C4'-P energy: -85.455
bonds (distance) P-C4' energy: -101.581
flat angles C4'-P-C4' energy: -124.236
flat angles P-C4'-P energy: -88.400
tors. eta vs tors. theta energy: -159.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1722.473866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.473866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.473866 (E_RNA)
where:
Base-Base interactions energy: -1165.448
where: short stacking energy: -531.599
Base-Backbone interact. energy: -1.399
local terms energy: -555.626510
where:
bonds (distance) C4'-P energy: -97.983
bonds (distance) P-C4' energy: -105.722
flat angles C4'-P-C4' energy: -112.920
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -162.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1623.549903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.549903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.549903 (E_RNA)
where:
Base-Base interactions energy: -1128.443
where: short stacking energy: -501.164
Base-Backbone interact. energy: 0.088
local terms energy: -495.194676
where:
bonds (distance) C4'-P energy: -95.793
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -101.925
flat angles P-C4'-P energy: -61.239
tors. eta vs tors. theta energy: -136.876
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: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1602.181086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.181086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.181086 (E_RNA)
where:
Base-Base interactions energy: -1080.051
where: short stacking energy: -476.208
Base-Backbone interact. energy: -1.596
local terms energy: -520.534116
where:
bonds (distance) C4'-P energy: -89.856
bonds (distance) P-C4' energy: -107.007
flat angles C4'-P-C4' energy: -111.211
flat angles P-C4'-P energy: -76.492
tors. eta vs tors. theta energy: -135.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1481.799677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.799677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.799677 (E_RNA)
where:
Base-Base interactions energy: -991.115
where: short stacking energy: -430.512
Base-Backbone interact. energy: 2.695
local terms energy: -493.379270
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -96.141
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -79.264
tors. eta vs tors. theta energy: -127.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1348.004347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.004347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.004347 (E_RNA)
where:
Base-Base interactions energy: -897.692
where: short stacking energy: -397.093
Base-Backbone interact. energy: -0.798
local terms energy: -449.514764
where:
bonds (distance) C4'-P energy: -96.743
bonds (distance) P-C4' energy: -82.604
flat angles C4'-P-C4' energy: -90.143
flat angles P-C4'-P energy: -71.511
tors. eta vs tors. theta energy: -108.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1248.418766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.418766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.418766 (E_RNA)
where:
Base-Base interactions energy: -803.566
where: short stacking energy: -344.015
Base-Backbone interact. energy: -1.297
local terms energy: -443.556628
where:
bonds (distance) C4'-P energy: -103.718
bonds (distance) P-C4' energy: -83.180
flat angles C4'-P-C4' energy: -99.137
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -88.559
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: 10
Temperature: 1.350000
Total energy: -1181.170558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.170558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.170558 (E_RNA)
where:
Base-Base interactions energy: -781.946
where: short stacking energy: -330.867
Base-Backbone interact. energy: -1.441
local terms energy: -397.783775
where:
bonds (distance) C4'-P energy: -87.812
bonds (distance) P-C4' energy: -73.510
flat angles C4'-P-C4' energy: -92.755
flat angles P-C4'-P energy: -53.765
tors. eta vs tors. theta energy: -89.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1877.424449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.424449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.424449 (E_RNA)
where:
Base-Base interactions energy: -1273.632
where: short stacking energy: -582.825
Base-Backbone interact. energy: -4.754
local terms energy: -599.038440
where:
bonds (distance) C4'-P energy: -102.611
bonds (distance) P-C4' energy: -106.290
flat angles C4'-P-C4' energy: -118.774
flat angles P-C4'-P energy: -93.738
tors. eta vs tors. theta energy: -177.626
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1901.606037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.606037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.606037 (E_RNA)
where:
Base-Base interactions energy: -1319.498
where: short stacking energy: -564.220
Base-Backbone interact. energy: -1.711
local terms energy: -580.397057
where:
bonds (distance) C4'-P energy: -89.744
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -126.752
flat angles P-C4'-P energy: -89.341
tors. eta vs tors. theta energy: -173.529
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1768.494800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.494800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.494800 (E_RNA)
where:
Base-Base interactions energy: -1207.585
where: short stacking energy: -543.401
Base-Backbone interact. energy: 0.280
local terms energy: -561.189913
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -126.285
flat angles P-C4'-P energy: -69.614
tors. eta vs tors. theta energy: -162.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1722.773457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.773457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.773457 (E_RNA)
where:
Base-Base interactions energy: -1185.073
where: short stacking energy: -532.216
Base-Backbone interact. energy: 3.908
local terms energy: -541.608945
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -111.757
flat angles P-C4'-P energy: -78.577
tors. eta vs tors. theta energy: -160.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1626.664559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.664559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.664559 (E_RNA)
where:
Base-Base interactions energy: -1115.532
where: short stacking energy: -479.654
Base-Backbone interact. energy: -0.038
local terms energy: -511.093680
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -105.658
flat angles C4'-P-C4' energy: -104.167
flat angles P-C4'-P energy: -68.879
tors. eta vs tors. theta energy: -132.676
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1596.062300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.062300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.062300 (E_RNA)
where:
Base-Base interactions energy: -1093.625
where: short stacking energy: -484.448
Base-Backbone interact. energy: -3.065
local terms energy: -499.373181
where:
bonds (distance) C4'-P energy: -94.130
bonds (distance) P-C4' energy: -91.836
flat angles C4'-P-C4' energy: -103.711
flat angles P-C4'-P energy: -59.828
tors. eta vs tors. theta energy: -149.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1475.555059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.555059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.555059 (E_RNA)
where:
Base-Base interactions energy: -1014.129
where: short stacking energy: -452.186
Base-Backbone interact. energy: -0.721
local terms energy: -460.704986
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -84.853
flat angles C4'-P-C4' energy: -97.332
flat angles P-C4'-P energy: -67.845
tors. eta vs tors. theta energy: -116.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1390.632055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.632055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.632055 (E_RNA)
where:
Base-Base interactions energy: -953.834
where: short stacking energy: -430.823
Base-Backbone interact. energy: -0.647
local terms energy: -436.150478
where:
bonds (distance) C4'-P energy: -83.955
bonds (distance) P-C4' energy: -88.408
flat angles C4'-P-C4' energy: -105.975
flat angles P-C4'-P energy: -64.198
tors. eta vs tors. theta energy: -93.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1250.588972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.588972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.588972 (E_RNA)
where:
Base-Base interactions energy: -816.902
where: short stacking energy: -345.143
Base-Backbone interact. energy: -1.971
local terms energy: -431.716449
where:
bonds (distance) C4'-P energy: -93.220
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -101.112
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -86.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1062.415710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.415710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.415710 (E_RNA)
where:
Base-Base interactions energy: -689.531
where: short stacking energy: -298.818
Base-Backbone interact. energy: 0.024
local terms energy: -372.908907
where:
bonds (distance) C4'-P energy: -93.520
bonds (distance) P-C4' energy: -87.843
flat angles C4'-P-C4' energy: -73.073
flat angles P-C4'-P energy: -55.277
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1953.808773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.808773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.808773 (E_RNA)
where:
Base-Base interactions energy: -1364.046
where: short stacking energy: -576.035
Base-Backbone interact. energy: -1.733
local terms energy: -588.030179
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -126.965
flat angles P-C4'-P energy: -85.365
tors. eta vs tors. theta energy: -166.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1848.023242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.023242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.023242 (E_RNA)
where:
Base-Base interactions energy: -1270.941
where: short stacking energy: -561.408
Base-Backbone interact. energy: -2.893
local terms energy: -574.190044
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -122.960
flat angles P-C4'-P energy: -85.235
tors. eta vs tors. theta energy: -177.608
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: 12
Temperature: 1.000000
Total energy: -1754.677647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.677647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.677647 (E_RNA)
where:
Base-Base interactions energy: -1199.209
where: short stacking energy: -521.465
Base-Backbone interact. energy: -2.961
local terms energy: -552.507407
where:
bonds (distance) C4'-P energy: -108.835
bonds (distance) P-C4' energy: -106.157
flat angles C4'-P-C4' energy: -106.852
flat angles P-C4'-P energy: -77.804
tors. eta vs tors. theta energy: -152.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1698.938311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.938311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.938311 (E_RNA)
where:
Base-Base interactions energy: -1158.920
where: short stacking energy: -506.749
Base-Backbone interact. energy: -1.209
local terms energy: -538.809899
where:
bonds (distance) C4'-P energy: -98.191
bonds (distance) P-C4' energy: -97.949
flat angles C4'-P-C4' energy: -124.945
flat angles P-C4'-P energy: -72.501
tors. eta vs tors. theta energy: -145.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1622.679529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.679529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.679529 (E_RNA)
where:
Base-Base interactions energy: -1107.886
where: short stacking energy: -482.482
Base-Backbone interact. energy: -2.786
local terms energy: -512.007703
where:
bonds (distance) C4'-P energy: -81.923
bonds (distance) P-C4' energy: -94.404
flat angles C4'-P-C4' energy: -120.232
flat angles P-C4'-P energy: -75.919
tors. eta vs tors. theta energy: -139.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1625.303436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.303436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.303436 (E_RNA)
where:
Base-Base interactions energy: -1108.741
where: short stacking energy: -467.514
Base-Backbone interact. energy: -0.856
local terms energy: -515.705878
where:
bonds (distance) C4'-P energy: -101.666
bonds (distance) P-C4' energy: -93.236
flat angles C4'-P-C4' energy: -104.285
flat angles P-C4'-P energy: -73.654
tors. eta vs tors. theta energy: -142.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1435.816636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.816636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.816636 (E_RNA)
where:
Base-Base interactions energy: -967.277
where: short stacking energy: -406.616
Base-Backbone interact. energy: -1.685
local terms energy: -466.854622
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -105.880
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -114.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1343.606245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.606245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.606245 (E_RNA)
where:
Base-Base interactions energy: -920.713
where: short stacking energy: -370.552
Base-Backbone interact. energy: -3.712
local terms energy: -419.181392
where:
bonds (distance) C4'-P energy: -95.158
bonds (distance) P-C4' energy: -78.045
flat angles C4'-P-C4' energy: -91.648
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: -98.652
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1170.945566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.945566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.945566 (E_RNA)
where:
Base-Base interactions energy: -787.791
where: short stacking energy: -348.157
Base-Backbone interact. energy: -1.382
local terms energy: -381.772236
where:
bonds (distance) C4'-P energy: -82.120
bonds (distance) P-C4' energy: -87.745
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -44.977
tors. eta vs tors. theta energy: -86.633
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: 12
Temperature: 1.350000
Total energy: -1035.902876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.902876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.902876 (E_RNA)
where:
Base-Base interactions energy: -668.422
where: short stacking energy: -291.072
Base-Backbone interact. energy: 1.322
local terms energy: -368.803120
where:
bonds (distance) C4'-P energy: -84.164
bonds (distance) P-C4' energy: -86.965
flat angles C4'-P-C4' energy: -81.672
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -54.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1984.334863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.334863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.334863 (E_RNA)
where:
Base-Base interactions energy: -1376.331
where: short stacking energy: -581.753
Base-Backbone interact. energy: -0.810
local terms energy: -607.193873
where:
bonds (distance) C4'-P energy: -105.300
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -127.098
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -178.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1849.363530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.363530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.363530 (E_RNA)
where:
Base-Base interactions energy: -1254.508
where: short stacking energy: -573.931
Base-Backbone interact. energy: -4.190
local terms energy: -590.666030
where:
bonds (distance) C4'-P energy: -101.804
bonds (distance) P-C4' energy: -112.256
flat angles C4'-P-C4' energy: -124.150
flat angles P-C4'-P energy: -76.724
tors. eta vs tors. theta energy: -175.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1788.736473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.736473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.736473 (E_RNA)
where:
Base-Base interactions energy: -1201.626
where: short stacking energy: -548.346
Base-Backbone interact. energy: -1.707
local terms energy: -585.403298
where:
bonds (distance) C4'-P energy: -102.090
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -122.516
flat angles P-C4'-P energy: -81.403
tors. eta vs tors. theta energy: -162.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1717.191676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.191676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.191676 (E_RNA)
where:
Base-Base interactions energy: -1177.266
where: short stacking energy: -536.600
Base-Backbone interact. energy: -0.533
local terms energy: -539.392604
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -80.336
flat angles C4'-P-C4' energy: -112.280
flat angles P-C4'-P energy: -77.992
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: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1605.837991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.837991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.837991 (E_RNA)
where:
Base-Base interactions energy: -1077.555
where: short stacking energy: -475.557
Base-Backbone interact. energy: -0.802
local terms energy: -527.481141
where:
bonds (distance) C4'-P energy: -97.913
bonds (distance) P-C4' energy: -101.433
flat angles C4'-P-C4' energy: -119.332
flat angles P-C4'-P energy: -72.682
tors. eta vs tors. theta energy: -136.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1576.334734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.334734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.334734 (E_RNA)
where:
Base-Base interactions energy: -1072.127
where: short stacking energy: -443.669
Base-Backbone interact. energy: -1.092
local terms energy: -503.116599
where:
bonds (distance) C4'-P energy: -95.620
bonds (distance) P-C4' energy: -110.320
flat angles C4'-P-C4' energy: -103.587
flat angles P-C4'-P energy: -72.167
tors. eta vs tors. theta energy: -121.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1406.339552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.339552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.339552 (E_RNA)
where:
Base-Base interactions energy: -939.209
where: short stacking energy: -412.258
Base-Backbone interact. energy: 6.106
local terms energy: -473.236370
where:
bonds (distance) C4'-P energy: -96.072
bonds (distance) P-C4' energy: -93.561
flat angles C4'-P-C4' energy: -101.718
flat angles P-C4'-P energy: -68.876
tors. eta vs tors. theta energy: -113.008
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1322.723110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.723110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.723110 (E_RNA)
where:
Base-Base interactions energy: -879.969
where: short stacking energy: -376.053
Base-Backbone interact. energy: -1.412
local terms energy: -441.341683
where:
bonds (distance) C4'-P energy: -90.968
bonds (distance) P-C4' energy: -96.821
flat angles C4'-P-C4' energy: -96.691
flat angles P-C4'-P energy: -63.920
tors. eta vs tors. theta energy: -92.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1179.051181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.051181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.051181 (E_RNA)
where:
Base-Base interactions energy: -782.660
where: short stacking energy: -331.186
Base-Backbone interact. energy: -2.589
local terms energy: -393.802146
where:
bonds (distance) C4'-P energy: -75.872
bonds (distance) P-C4' energy: -91.157
flat angles C4'-P-C4' energy: -86.259
flat angles P-C4'-P energy: -72.087
tors. eta vs tors. theta energy: -68.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1024.918259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.918259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.918259 (E_RNA)
where:
Base-Base interactions energy: -656.654
where: short stacking energy: -278.187
Base-Backbone interact. energy: 2.600
local terms energy: -370.863485
where:
bonds (distance) C4'-P energy: -97.957
bonds (distance) P-C4' energy: -79.836
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -58.503
tors. eta vs tors. theta energy: -38.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1928.193310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.193310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.193310 (E_RNA)
where:
Base-Base interactions energy: -1342.906
where: short stacking energy: -565.280
Base-Backbone interact. energy: -2.501
local terms energy: -582.786552
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -95.824
flat angles C4'-P-C4' energy: -124.967
flat angles P-C4'-P energy: -94.071
tors. eta vs tors. theta energy: -162.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1835.379425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.379425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.379425 (E_RNA)
where:
Base-Base interactions energy: -1257.016
where: short stacking energy: -567.840
Base-Backbone interact. energy: -2.438
local terms energy: -575.925599
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -112.326
flat angles C4'-P-C4' energy: -118.477
flat angles P-C4'-P energy: -86.522
tors. eta vs tors. theta energy: -162.417
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1728.847163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.847163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.847163 (E_RNA)
where:
Base-Base interactions energy: -1177.978
where: short stacking energy: -526.306
Base-Backbone interact. energy: -2.267
local terms energy: -548.601964
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -96.509
flat angles C4'-P-C4' energy: -120.056
flat angles P-C4'-P energy: -72.610
tors. eta vs tors. theta energy: -164.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1718.663684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.663684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.663684 (E_RNA)
where:
Base-Base interactions energy: -1173.783
where: short stacking energy: -518.322
Base-Backbone interact. energy: -2.671
local terms energy: -542.209745
where:
bonds (distance) C4'-P energy: -104.464
bonds (distance) P-C4' energy: -90.579
flat angles C4'-P-C4' energy: -118.992
flat angles P-C4'-P energy: -73.767
tors. eta vs tors. theta energy: -154.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1612.101301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.101301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.101301 (E_RNA)
where:
Base-Base interactions energy: -1103.127
where: short stacking energy: -485.424
Base-Backbone interact. energy: 1.464
local terms energy: -510.438348
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -114.655
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: -132.787
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: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1568.602353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.602353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.602353 (E_RNA)
where:
Base-Base interactions energy: -1094.486
where: short stacking energy: -450.820
Base-Backbone interact. energy: -2.161
local terms energy: -471.955687
where:
bonds (distance) C4'-P energy: -88.018
bonds (distance) P-C4' energy: -99.701
flat angles C4'-P-C4' energy: -97.568
flat angles P-C4'-P energy: -76.633
tors. eta vs tors. theta energy: -110.035
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1392.380696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.380696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.380696 (E_RNA)
where:
Base-Base interactions energy: -944.828
where: short stacking energy: -404.503
Base-Backbone interact. energy: -0.399
local terms energy: -447.153891
where:
bonds (distance) C4'-P energy: -91.034
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -66.758
tors. eta vs tors. theta energy: -112.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1350.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.588093 (E_RNA)
where:
Base-Base interactions energy: -926.102
where: short stacking energy: -393.180
Base-Backbone interact. energy: -2.541
local terms energy: -421.945893
where:
bonds (distance) C4'-P energy: -84.742
bonds (distance) P-C4' energy: -86.224
flat angles C4'-P-C4' energy: -99.849
flat angles P-C4'-P energy: -60.968
tors. eta vs tors. theta energy: -90.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1194.181448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.181448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.181448 (E_RNA)
where:
Base-Base interactions energy: -760.304
where: short stacking energy: -331.406
Base-Backbone interact. energy: -2.387
local terms energy: -431.490706
where:
bonds (distance) C4'-P energy: -93.886
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -99.170
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -88.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -969.880268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.880268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.880268 (E_RNA)
where:
Base-Base interactions energy: -629.482
where: short stacking energy: -289.537
Base-Backbone interact. energy: -0.019
local terms energy: -340.379235
where:
bonds (distance) C4'-P energy: -77.452
bonds (distance) P-C4' energy: -81.364
flat angles C4'-P-C4' energy: -81.622
flat angles P-C4'-P energy: -39.383
tors. eta vs tors. theta energy: -60.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1924.524413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.524413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.524413 (E_RNA)
where:
Base-Base interactions energy: -1338.805
where: short stacking energy: -577.461
Base-Backbone interact. energy: 0.661
local terms energy: -586.380390
where:
bonds (distance) C4'-P energy: -107.453
bonds (distance) P-C4' energy: -113.948
flat angles C4'-P-C4' energy: -117.740
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -177.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1865.613372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.613372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.613372 (E_RNA)
where:
Base-Base interactions energy: -1291.359
where: short stacking energy: -591.222
Base-Backbone interact. energy: -3.245
local terms energy: -571.009630
where:
bonds (distance) C4'-P energy: -90.975
bonds (distance) P-C4' energy: -98.134
flat angles C4'-P-C4' energy: -122.251
flat angles P-C4'-P energy: -76.423
tors. eta vs tors. theta energy: -183.227
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: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1730.491439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.491439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.491439 (E_RNA)
where:
Base-Base interactions energy: -1189.029
where: short stacking energy: -503.822
Base-Backbone interact. energy: -0.618
local terms energy: -540.844014
where:
bonds (distance) C4'-P energy: -94.564
bonds (distance) P-C4' energy: -93.488
flat angles C4'-P-C4' energy: -119.645
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -156.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1699.008285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.008285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.008285 (E_RNA)
where:
Base-Base interactions energy: -1142.716
where: short stacking energy: -510.155
Base-Backbone interact. energy: -2.778
local terms energy: -553.513693
where:
bonds (distance) C4'-P energy: -95.573
bonds (distance) P-C4' energy: -94.268
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -83.788
tors. eta vs tors. theta energy: -155.940
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: 15
Temperature: 1.100000
Total energy: -1609.101775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.101775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.101775 (E_RNA)
where:
Base-Base interactions energy: -1078.773
where: short stacking energy: -476.414
Base-Backbone interact. energy: 4.752
local terms energy: -535.080730
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -102.446
flat angles C4'-P-C4' energy: -107.645
flat angles P-C4'-P energy: -84.869
tors. eta vs tors. theta energy: -143.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1545.633782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.633782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.633782 (E_RNA)
where:
Base-Base interactions energy: -1072.489
where: short stacking energy: -476.154
Base-Backbone interact. energy: 0.100
local terms energy: -473.244694
where:
bonds (distance) C4'-P energy: -90.046
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -89.548
flat angles P-C4'-P energy: -72.719
tors. eta vs tors. theta energy: -125.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1445.221757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.221757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.221757 (E_RNA)
where:
Base-Base interactions energy: -989.890
where: short stacking energy: -428.484
Base-Backbone interact. energy: -0.916
local terms energy: -454.416529
where:
bonds (distance) C4'-P energy: -88.436
bonds (distance) P-C4' energy: -82.452
flat angles C4'-P-C4' energy: -100.750
flat angles P-C4'-P energy: -67.889
tors. eta vs tors. theta energy: -114.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1327.453072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.453072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.453072 (E_RNA)
where:
Base-Base interactions energy: -875.826
where: short stacking energy: -369.423
Base-Backbone interact. energy: 2.228
local terms energy: -453.855237
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -103.256
flat angles P-C4'-P energy: -51.290
tors. eta vs tors. theta energy: -99.150
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: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1161.711985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.711985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.711985 (E_RNA)
where:
Base-Base interactions energy: -772.231
where: short stacking energy: -335.506
Base-Backbone interact. energy: -0.650
local terms energy: -388.830590
where:
bonds (distance) C4'-P energy: -70.402
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -97.253
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -74.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -911.870858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.870858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.870858 (E_RNA)
where:
Base-Base interactions energy: -576.242
where: short stacking energy: -260.736
Base-Backbone interact. energy: -1.729
local terms energy: -333.900371
where:
bonds (distance) C4'-P energy: -85.396
bonds (distance) P-C4' energy: -83.506
flat angles C4'-P-C4' energy: -73.239
flat angles P-C4'-P energy: -61.340
tors. eta vs tors. theta energy: -30.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1913.359739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.359739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.359739 (E_RNA)
where:
Base-Base interactions energy: -1314.201
where: short stacking energy: -571.243
Base-Backbone interact. energy: -2.554
local terms energy: -596.605003
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -105.281
flat angles C4'-P-C4' energy: -119.306
flat angles P-C4'-P energy: -90.176
tors. eta vs tors. theta energy: -178.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1913.464155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.464155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.464155 (E_RNA)
where:
Base-Base interactions energy: -1304.632
where: short stacking energy: -547.972
Base-Backbone interact. energy: -6.221
local terms energy: -602.610888
where:
bonds (distance) C4'-P energy: -112.772
bonds (distance) P-C4' energy: -109.305
flat angles C4'-P-C4' energy: -116.117
flat angles P-C4'-P energy: -92.212
tors. eta vs tors. theta energy: -172.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1751.715211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.715211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.715211 (E_RNA)
where:
Base-Base interactions energy: -1193.189
where: short stacking energy: -517.114
Base-Backbone interact. energy: 0.229
local terms energy: -558.755027
where:
bonds (distance) C4'-P energy: -106.069
bonds (distance) P-C4' energy: -93.558
flat angles C4'-P-C4' energy: -124.137
flat angles P-C4'-P energy: -85.273
tors. eta vs tors. theta energy: -149.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1713.359365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.359365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.359365 (E_RNA)
where:
Base-Base interactions energy: -1152.706
where: short stacking energy: -480.052
Base-Backbone interact. energy: -1.397
local terms energy: -559.256189
where:
bonds (distance) C4'-P energy: -101.785
bonds (distance) P-C4' energy: -117.383
flat angles C4'-P-C4' energy: -103.755
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -153.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1603.482905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.482905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.482905 (E_RNA)
where:
Base-Base interactions energy: -1085.189
where: short stacking energy: -458.009
Base-Backbone interact. energy: -2.053
local terms energy: -516.240854
where:
bonds (distance) C4'-P energy: -94.374
bonds (distance) P-C4' energy: -88.141
flat angles C4'-P-C4' energy: -129.052
flat angles P-C4'-P energy: -69.744
tors. eta vs tors. theta energy: -134.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1553.900668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.900668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.900668 (E_RNA)
where:
Base-Base interactions energy: -1073.123
where: short stacking energy: -462.531
Base-Backbone interact. energy: -3.578
local terms energy: -477.199657
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -95.728
flat angles C4'-P-C4' energy: -105.599
flat angles P-C4'-P energy: -64.928
tors. eta vs tors. theta energy: -128.350
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: 16
Temperature: 1.200000
Total energy: -1511.207535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.207535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.207535 (E_RNA)
where:
Base-Base interactions energy: -1014.921
where: short stacking energy: -450.276
Base-Backbone interact. energy: -1.361
local terms energy: -494.925705
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -97.856
flat angles C4'-P-C4' energy: -106.031
flat angles P-C4'-P energy: -69.505
tors. eta vs tors. theta energy: -136.928
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: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1313.870310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.870310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.870310 (E_RNA)
where:
Base-Base interactions energy: -876.018
where: short stacking energy: -389.567
Base-Backbone interact. energy: 7.607
local terms energy: -445.459258
where:
bonds (distance) C4'-P energy: -89.644
bonds (distance) P-C4' energy: -92.328
flat angles C4'-P-C4' energy: -107.070
flat angles P-C4'-P energy: -60.923
tors. eta vs tors. theta energy: -95.494
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1031.180686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.180686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.180686 (E_RNA)
where:
Base-Base interactions energy: -673.517
where: short stacking energy: -287.042
Base-Backbone interact. energy: 2.489
local terms energy: -360.151861
where:
bonds (distance) C4'-P energy: -82.819
bonds (distance) P-C4' energy: -76.061
flat angles C4'-P-C4' energy: -76.202
flat angles P-C4'-P energy: -63.975
tors. eta vs tors. theta energy: -61.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -891.775153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.775153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.775153 (E_RNA)
where:
Base-Base interactions energy: -554.763
where: short stacking energy: -240.276
Base-Backbone interact. energy: 3.403
local terms energy: -340.415510
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -58.988
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1908.519288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.519288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.519288 (E_RNA)
where:
Base-Base interactions energy: -1302.754
where: short stacking energy: -591.651
Base-Backbone interact. energy: -4.044
local terms energy: -601.721606
where:
bonds (distance) C4'-P energy: -105.176
bonds (distance) P-C4' energy: -115.676
flat angles C4'-P-C4' energy: -124.414
flat angles P-C4'-P energy: -82.834
tors. eta vs tors. theta energy: -173.621
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: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1894.193097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.193097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.193097 (E_RNA)
where:
Base-Base interactions energy: -1312.948
where: short stacking energy: -541.215
Base-Backbone interact. energy: -4.576
local terms energy: -576.669103
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -122.870
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -169.693
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1750.208052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.208052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.208052 (E_RNA)
where:
Base-Base interactions energy: -1176.491
where: short stacking energy: -521.430
Base-Backbone interact. energy: -0.506
local terms energy: -573.211279
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -121.984
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -158.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1661.536838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.536838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.536838 (E_RNA)
where:
Base-Base interactions energy: -1128.666
where: short stacking energy: -494.267
Base-Backbone interact. energy: -1.441
local terms energy: -531.429140
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -96.331
flat angles C4'-P-C4' energy: -114.871
flat angles P-C4'-P energy: -77.222
tors. eta vs tors. theta energy: -149.323
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: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1627.526501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.526501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.526501 (E_RNA)
where:
Base-Base interactions energy: -1114.520
where: short stacking energy: -490.008
Base-Backbone interact. energy: -2.571
local terms energy: -510.435069
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -142.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1568.235687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.235687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.235687 (E_RNA)
where:
Base-Base interactions energy: -1072.930
where: short stacking energy: -456.594
Base-Backbone interact. energy: 1.353
local terms energy: -496.658915
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -75.798
tors. eta vs tors. theta energy: -131.163
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: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1453.445539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.445539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.445539 (E_RNA)
where:
Base-Base interactions energy: -997.407
where: short stacking energy: -424.977
Base-Backbone interact. energy: -1.575
local terms energy: -454.462564
where:
bonds (distance) C4'-P energy: -88.924
bonds (distance) P-C4' energy: -83.854
flat angles C4'-P-C4' energy: -92.982
flat angles P-C4'-P energy: -67.365
tors. eta vs tors. theta energy: -121.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1279.923099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.923099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.923099 (E_RNA)
where:
Base-Base interactions energy: -837.876
where: short stacking energy: -366.636
Base-Backbone interact. energy: 1.274
local terms energy: -443.320956
where:
bonds (distance) C4'-P energy: -102.065
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -87.376
flat angles P-C4'-P energy: -63.600
tors. eta vs tors. theta energy: -100.217
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: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -980.682628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.682628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.682628 (E_RNA)
where:
Base-Base interactions energy: -604.516
where: short stacking energy: -287.392
Base-Backbone interact. energy: 3.016
local terms energy: -379.183123
where:
bonds (distance) C4'-P energy: -80.828
bonds (distance) P-C4' energy: -96.317
flat angles C4'-P-C4' energy: -99.743
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -49.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -894.834840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.834840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.834840 (E_RNA)
where:
Base-Base interactions energy: -559.993
where: short stacking energy: -251.239
Base-Backbone interact. energy: 0.976
local terms energy: -335.818320
where:
bonds (distance) C4'-P energy: -66.212
bonds (distance) P-C4' energy: -83.721
flat angles C4'-P-C4' energy: -97.629
flat angles P-C4'-P energy: -55.503
tors. eta vs tors. theta energy: -32.753
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: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1934.071402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.071402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.071402 (E_RNA)
where:
Base-Base interactions energy: -1328.869
where: short stacking energy: -563.293
Base-Backbone interact. energy: -0.170
local terms energy: -605.032298
where:
bonds (distance) C4'-P energy: -109.448
bonds (distance) P-C4' energy: -109.230
flat angles C4'-P-C4' energy: -119.731
flat angles P-C4'-P energy: -95.554
tors. eta vs tors. theta energy: -171.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1882.400592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.400592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.400592 (E_RNA)
where:
Base-Base interactions energy: -1292.568
where: short stacking energy: -558.969
Base-Backbone interact. energy: 0.550
local terms energy: -590.382928
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -106.747
flat angles C4'-P-C4' energy: -119.633
flat angles P-C4'-P energy: -84.164
tors. eta vs tors. theta energy: -164.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1774.178514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.178514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.178514 (E_RNA)
where:
Base-Base interactions energy: -1225.090
where: short stacking energy: -532.306
Base-Backbone interact. energy: -2.812
local terms energy: -546.276971
where:
bonds (distance) C4'-P energy: -86.657
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -115.704
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -155.579
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1654.939945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.939945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.939945 (E_RNA)
where:
Base-Base interactions energy: -1113.936
where: short stacking energy: -492.201
Base-Backbone interact. energy: 0.760
local terms energy: -541.763306
where:
bonds (distance) C4'-P energy: -100.044
bonds (distance) P-C4' energy: -114.008
flat angles C4'-P-C4' energy: -118.301
flat angles P-C4'-P energy: -71.863
tors. eta vs tors. theta energy: -137.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1657.114280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.114280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.114280 (E_RNA)
where:
Base-Base interactions energy: -1125.959
where: short stacking energy: -511.893
Base-Backbone interact. energy: -1.567
local terms energy: -529.588354
where:
bonds (distance) C4'-P energy: -88.092
bonds (distance) P-C4' energy: -101.648
flat angles C4'-P-C4' energy: -117.181
flat angles P-C4'-P energy: -77.931
tors. eta vs tors. theta energy: -144.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1543.855232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.855232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.855232 (E_RNA)
where:
Base-Base interactions energy: -1071.527
where: short stacking energy: -449.537
Base-Backbone interact. energy: -2.043
local terms energy: -470.284601
where:
bonds (distance) C4'-P energy: -79.436
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -116.754
flat angles P-C4'-P energy: -64.059
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1442.592049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.592049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.592049 (E_RNA)
where:
Base-Base interactions energy: -972.411
where: short stacking energy: -416.946
Base-Backbone interact. energy: -2.640
local terms energy: -467.541481
where:
bonds (distance) C4'-P energy: -88.713
bonds (distance) P-C4' energy: -98.308
flat angles C4'-P-C4' energy: -108.288
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -111.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1280.832517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.832517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.832517 (E_RNA)
where:
Base-Base interactions energy: -866.264
where: short stacking energy: -361.058
Base-Backbone interact. energy: -1.328
local terms energy: -413.240474
where:
bonds (distance) C4'-P energy: -88.284
bonds (distance) P-C4' energy: -89.480
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -88.785
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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -994.172066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.172066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.172066 (E_RNA)
where:
Base-Base interactions energy: -650.253
where: short stacking energy: -317.887
Base-Backbone interact. energy: -0.176
local terms energy: -343.742943
where:
bonds (distance) C4'-P energy: -64.445
bonds (distance) P-C4' energy: -80.509
flat angles C4'-P-C4' energy: -105.736
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -41.804
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -936.291965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.291965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.291965 (E_RNA)
where:
Base-Base interactions energy: -601.461
where: short stacking energy: -270.631
Base-Backbone interact. energy: -0.908
local terms energy: -333.922717
where:
bonds (distance) C4'-P energy: -79.340
bonds (distance) P-C4' energy: -72.401
flat angles C4'-P-C4' energy: -84.135
flat angles P-C4'-P energy: -55.324
tors. eta vs tors. theta energy: -42.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1942.828760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.828760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.828760 (E_RNA)
where:
Base-Base interactions energy: -1347.499
where: short stacking energy: -560.956
Base-Backbone interact. energy: -5.481
local terms energy: -589.848636
where:
bonds (distance) C4'-P energy: -96.088
bonds (distance) P-C4' energy: -119.363
flat angles C4'-P-C4' energy: -123.787
flat angles P-C4'-P energy: -83.070
tors. eta vs tors. theta energy: -167.541
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: 19
Temperature: 0.950000
Total energy: -1871.942506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.942506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.942506 (E_RNA)
where:
Base-Base interactions energy: -1305.873
where: short stacking energy: -579.349
Base-Backbone interact. energy: -3.286
local terms energy: -562.783910
where:
bonds (distance) C4'-P energy: -98.887
bonds (distance) P-C4' energy: -99.697
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -78.491
tors. eta vs tors. theta energy: -171.688
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: 19
Temperature: 1.000000
Total energy: -1755.426971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.426971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.426971 (E_RNA)
where:
Base-Base interactions energy: -1179.621
where: short stacking energy: -529.645
Base-Backbone interact. energy: -0.885
local terms energy: -574.921268
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -98.112
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -84.786
tors. eta vs tors. theta energy: -159.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1691.643712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.643712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.643712 (E_RNA)
where:
Base-Base interactions energy: -1144.031
where: short stacking energy: -485.802
Base-Backbone interact. energy: -2.067
local terms energy: -545.545833
where:
bonds (distance) C4'-P energy: -109.064
bonds (distance) P-C4' energy: -111.861
flat angles C4'-P-C4' energy: -110.991
flat angles P-C4'-P energy: -63.838
tors. eta vs tors. theta energy: -149.791
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1633.711671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.711671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.711671 (E_RNA)
where:
Base-Base interactions energy: -1133.191
where: short stacking energy: -484.478
Base-Backbone interact. energy: 2.579
local terms energy: -503.098940
where:
bonds (distance) C4'-P energy: -89.577
bonds (distance) P-C4' energy: -85.026
flat angles C4'-P-C4' energy: -124.432
flat angles P-C4'-P energy: -67.922
tors. eta vs tors. theta energy: -136.142
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: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1584.951702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.951702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.951702 (E_RNA)
where:
Base-Base interactions energy: -1080.689
where: short stacking energy: -451.733
Base-Backbone interact. energy: -0.194
local terms energy: -504.068709
where:
bonds (distance) C4'-P energy: -101.631
bonds (distance) P-C4' energy: -101.694
flat angles C4'-P-C4' energy: -97.270
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -132.856
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: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1394.273379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.273379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.273379 (E_RNA)
where:
Base-Base interactions energy: -925.092
where: short stacking energy: -395.638
Base-Backbone interact. energy: -0.431
local terms energy: -468.751072
where:
bonds (distance) C4'-P energy: -86.537
bonds (distance) P-C4' energy: -104.060
flat angles C4'-P-C4' energy: -115.751
flat angles P-C4'-P energy: -69.232
tors. eta vs tors. theta energy: -93.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1289.510516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.510516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.510516 (E_RNA)
where:
Base-Base interactions energy: -860.732
where: short stacking energy: -368.040
Base-Backbone interact. energy: -0.885
local terms energy: -427.893634
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -76.120
flat angles C4'-P-C4' energy: -108.909
flat angles P-C4'-P energy: -66.711
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: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1017.331155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.331155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.331155 (E_RNA)
where:
Base-Base interactions energy: -589.450
where: short stacking energy: -276.728
Base-Backbone interact. energy: -0.843
local terms energy: -427.038035
where:
bonds (distance) C4'-P energy: -94.190
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -111.761
flat angles P-C4'-P energy: -67.530
tors. eta vs tors. theta energy: -56.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -984.584358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.584358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.584358 (E_RNA)
where:
Base-Base interactions energy: -634.914
where: short stacking energy: -273.894
Base-Backbone interact. energy: 5.275
local terms energy: -354.945001
where:
bonds (distance) C4'-P energy: -77.822
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -81.396
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -53.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1952.798377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.798377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.798377 (E_RNA)
where:
Base-Base interactions energy: -1354.481
where: short stacking energy: -572.484
Base-Backbone interact. energy: -4.609
local terms energy: -593.708181
where:
bonds (distance) C4'-P energy: -114.727
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -126.809
flat angles P-C4'-P energy: -79.007
tors. eta vs tors. theta energy: -173.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1854.320060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.320060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.320060 (E_RNA)
where:
Base-Base interactions energy: -1260.603
where: short stacking energy: -587.607
Base-Backbone interact. energy: -1.677
local terms energy: -592.040501
where:
bonds (distance) C4'-P energy: -96.543
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -128.800
flat angles P-C4'-P energy: -92.357
tors. eta vs tors. theta energy: -171.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1707.869112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.869112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.869112 (E_RNA)
where:
Base-Base interactions energy: -1170.648
where: short stacking energy: -518.317
Base-Backbone interact. energy: -1.408
local terms energy: -535.812794
where:
bonds (distance) C4'-P energy: -96.015
bonds (distance) P-C4' energy: -92.500
flat angles C4'-P-C4' energy: -117.406
flat angles P-C4'-P energy: -81.037
tors. eta vs tors. theta energy: -148.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1698.283291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.283291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.283291 (E_RNA)
where:
Base-Base interactions energy: -1135.684
where: short stacking energy: -497.003
Base-Backbone interact. energy: -1.725
local terms energy: -560.873839
where:
bonds (distance) C4'-P energy: -91.817
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -117.297
flat angles P-C4'-P energy: -81.452
tors. eta vs tors. theta energy: -158.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1657.510619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.510619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.510619 (E_RNA)
where:
Base-Base interactions energy: -1151.081
where: short stacking energy: -493.736
Base-Backbone interact. energy: 1.002
local terms energy: -507.432390
where:
bonds (distance) C4'-P energy: -70.088
bonds (distance) P-C4' energy: -93.289
flat angles C4'-P-C4' energy: -120.117
flat angles P-C4'-P energy: -80.018
tors. eta vs tors. theta energy: -143.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1541.483604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.483604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.483604 (E_RNA)
where:
Base-Base interactions energy: -1055.805
where: short stacking energy: -458.743
Base-Backbone interact. energy: -0.650
local terms energy: -485.029352
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -97.769
flat angles C4'-P-C4' energy: -102.980
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -137.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1382.263888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.263888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.263888 (E_RNA)
where:
Base-Base interactions energy: -933.679
where: short stacking energy: -408.827
Base-Backbone interact. energy: -2.527
local terms energy: -446.058021
where:
bonds (distance) C4'-P energy: -91.521
bonds (distance) P-C4' energy: -90.152
flat angles C4'-P-C4' energy: -91.152
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1293.067646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.067646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.067646 (E_RNA)
where:
Base-Base interactions energy: -879.679
where: short stacking energy: -379.370
Base-Backbone interact. energy: 0.636
local terms energy: -414.024707
where:
bonds (distance) C4'-P energy: -73.147
bonds (distance) P-C4' energy: -90.181
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -62.747
tors. eta vs tors. theta energy: -98.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1119.069303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.069303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.069303 (E_RNA)
where:
Base-Base interactions energy: -722.745
where: short stacking energy: -338.683
Base-Backbone interact. energy: -1.118
local terms energy: -395.206723
where:
bonds (distance) C4'-P energy: -78.628
bonds (distance) P-C4' energy: -95.638
flat angles C4'-P-C4' energy: -96.618
flat angles P-C4'-P energy: -52.982
tors. eta vs tors. theta energy: -71.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -938.210420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.210420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.210420 (E_RNA)
where:
Base-Base interactions energy: -610.799
where: short stacking energy: -280.827
Base-Backbone interact. energy: 5.983
local terms energy: -333.393756
where:
bonds (distance) C4'-P energy: -74.988
bonds (distance) P-C4' energy: -82.889
flat angles C4'-P-C4' energy: -97.044
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -50.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1926.243985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.243985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.243985 (E_RNA)
where:
Base-Base interactions energy: -1322.211
where: short stacking energy: -558.418
Base-Backbone interact. energy: -2.711
local terms energy: -601.321977
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -112.605
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -82.578
tors. eta vs tors. theta energy: -172.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1842.518344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.518344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.518344 (E_RNA)
where:
Base-Base interactions energy: -1232.193
where: short stacking energy: -563.575
Base-Backbone interact. energy: -4.417
local terms energy: -605.908717
where:
bonds (distance) C4'-P energy: -107.492
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -118.884
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -177.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1726.833723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.833723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.833723 (E_RNA)
where:
Base-Base interactions energy: -1160.825
where: short stacking energy: -494.657
Base-Backbone interact. energy: -3.276
local terms energy: -562.732892
where:
bonds (distance) C4'-P energy: -95.659
bonds (distance) P-C4' energy: -116.835
flat angles C4'-P-C4' energy: -112.120
flat angles P-C4'-P energy: -91.260
tors. eta vs tors. theta energy: -146.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1710.516536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.516536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.516536 (E_RNA)
where:
Base-Base interactions energy: -1178.939
where: short stacking energy: -538.100
Base-Backbone interact. energy: 0.217
local terms energy: -531.794735
where:
bonds (distance) C4'-P energy: -86.547
bonds (distance) P-C4' energy: -92.287
flat angles C4'-P-C4' energy: -111.792
flat angles P-C4'-P energy: -85.551
tors. eta vs tors. theta energy: -155.618
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: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1645.052569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.052569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.052569 (E_RNA)
where:
Base-Base interactions energy: -1115.686
where: short stacking energy: -488.459
Base-Backbone interact. energy: -1.725
local terms energy: -527.641581
where:
bonds (distance) C4'-P energy: -105.354
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -98.549
flat angles P-C4'-P energy: -70.457
tors. eta vs tors. theta energy: -145.067
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: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1536.732303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.732303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.732303 (E_RNA)
where:
Base-Base interactions energy: -1057.847
where: short stacking energy: -461.242
Base-Backbone interact. energy: 0.951
local terms energy: -479.836475
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -110.709
flat angles P-C4'-P energy: -59.623
tors. eta vs tors. theta energy: -124.972
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1402.371926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.371926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.371926 (E_RNA)
where:
Base-Base interactions energy: -957.974
where: short stacking energy: -393.584
Base-Backbone interact. energy: 4.304
local terms energy: -448.701464
where:
bonds (distance) C4'-P energy: -89.466
bonds (distance) P-C4' energy: -97.799
flat angles C4'-P-C4' energy: -106.787
flat angles P-C4'-P energy: -50.087
tors. eta vs tors. theta energy: -104.564
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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1352.181747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.181747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.181747 (E_RNA)
where:
Base-Base interactions energy: -921.374
where: short stacking energy: -388.455
Base-Backbone interact. energy: -1.716
local terms energy: -429.090806
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -76.216
flat angles C4'-P-C4' energy: -100.264
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -105.420
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1088.054680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.054680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.054680 (E_RNA)
where:
Base-Base interactions energy: -696.003
where: short stacking energy: -347.322
Base-Backbone interact. energy: 8.837
local terms energy: -400.889212
where:
bonds (distance) C4'-P energy: -93.659
bonds (distance) P-C4' energy: -86.911
flat angles C4'-P-C4' energy: -98.450
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -74.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -888.932116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.932116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.932116 (E_RNA)
where:
Base-Base interactions energy: -536.578
where: short stacking energy: -249.114
Base-Backbone interact. energy: 0.600
local terms energy: -352.953407
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -86.689
flat angles C4'-P-C4' energy: -87.696
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -47.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1946.668760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.668760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.668760 (E_RNA)
where:
Base-Base interactions energy: -1355.270
where: short stacking energy: -579.550
Base-Backbone interact. energy: -2.413
local terms energy: -588.985913
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -111.299
flat angles C4'-P-C4' energy: -120.844
flat angles P-C4'-P energy: -85.123
tors. eta vs tors. theta energy: -166.895
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: 22
Temperature: 0.950000
Total energy: -1837.873750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.873750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.873750 (E_RNA)
where:
Base-Base interactions energy: -1238.581
where: short stacking energy: -552.849
Base-Backbone interact. energy: -3.863
local terms energy: -595.429216
where:
bonds (distance) C4'-P energy: -110.815
bonds (distance) P-C4' energy: -109.088
flat angles C4'-P-C4' energy: -123.899
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -168.602
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: 22
Temperature: 1.000000
Total energy: -1723.369416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.369416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.369416 (E_RNA)
where:
Base-Base interactions energy: -1171.368
where: short stacking energy: -507.038
Base-Backbone interact. energy: -2.350
local terms energy: -549.651956
where:
bonds (distance) C4'-P energy: -108.975
bonds (distance) P-C4' energy: -104.738
flat angles C4'-P-C4' energy: -118.854
flat angles P-C4'-P energy: -68.084
tors. eta vs tors. theta energy: -149.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1727.875953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.875953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.875953 (E_RNA)
where:
Base-Base interactions energy: -1167.176
where: short stacking energy: -517.538
Base-Backbone interact. energy: -2.406
local terms energy: -558.293951
where:
bonds (distance) C4'-P energy: -95.774
bonds (distance) P-C4' energy: -101.343
flat angles C4'-P-C4' energy: -118.349
flat angles P-C4'-P energy: -78.470
tors. eta vs tors. theta energy: -164.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1666.066203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.066203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.066203 (E_RNA)
where:
Base-Base interactions energy: -1135.057
where: short stacking energy: -505.472
Base-Backbone interact. energy: -0.476
local terms energy: -530.532805
where:
bonds (distance) C4'-P energy: -94.658
bonds (distance) P-C4' energy: -101.462
flat angles C4'-P-C4' energy: -113.391
flat angles P-C4'-P energy: -75.505
tors. eta vs tors. theta energy: -145.518
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: 22
Temperature: 1.150000
Total energy: -1554.682797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.682797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.682797 (E_RNA)
where:
Base-Base interactions energy: -1042.841
where: short stacking energy: -450.973
Base-Backbone interact. energy: -0.304
local terms energy: -511.537326
where:
bonds (distance) C4'-P energy: -105.043
bonds (distance) P-C4' energy: -96.239
flat angles C4'-P-C4' energy: -114.776
flat angles P-C4'-P energy: -71.577
tors. eta vs tors. theta energy: -123.902
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: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1433.976653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.976653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.976653 (E_RNA)
where:
Base-Base interactions energy: -992.778
where: short stacking energy: -427.029
Base-Backbone interact. energy: -1.818
local terms energy: -439.380131
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -79.461
flat angles C4'-P-C4' energy: -106.432
flat angles P-C4'-P energy: -64.837
tors. eta vs tors. theta energy: -120.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1341.730915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.730915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.730915 (E_RNA)
where:
Base-Base interactions energy: -897.588
where: short stacking energy: -398.066
Base-Backbone interact. energy: -3.085
local terms energy: -441.058529
where:
bonds (distance) C4'-P energy: -95.914
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -87.330
flat angles P-C4'-P energy: -56.996
tors. eta vs tors. theta energy: -111.629
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1053.293885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.293885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.293885 (E_RNA)
where:
Base-Base interactions energy: -664.242
where: short stacking energy: -306.360
Base-Backbone interact. energy: -1.275
local terms energy: -387.776819
where:
bonds (distance) C4'-P energy: -88.304
bonds (distance) P-C4' energy: -91.008
flat angles C4'-P-C4' energy: -84.624
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -63.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -934.043808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.043808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.043808 (E_RNA)
where:
Base-Base interactions energy: -587.354
where: short stacking energy: -257.483
Base-Backbone interact. energy: -2.677
local terms energy: -344.012580
where:
bonds (distance) C4'-P energy: -83.175
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -86.433
flat angles P-C4'-P energy: -50.795
tors. eta vs tors. theta energy: -43.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1927.887813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.887813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.887813 (E_RNA)
where:
Base-Base interactions energy: -1330.182
where: short stacking energy: -572.082
Base-Backbone interact. energy: -1.914
local terms energy: -595.791696
where:
bonds (distance) C4'-P energy: -111.825
bonds (distance) P-C4' energy: -96.429
flat angles C4'-P-C4' energy: -128.166
flat angles P-C4'-P energy: -94.553
tors. eta vs tors. theta energy: -164.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1846.517942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.517942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.517942 (E_RNA)
where:
Base-Base interactions energy: -1247.354
where: short stacking energy: -544.331
Base-Backbone interact. energy: -3.199
local terms energy: -595.964837
where:
bonds (distance) C4'-P energy: -102.984
bonds (distance) P-C4' energy: -100.993
flat angles C4'-P-C4' energy: -123.639
flat angles P-C4'-P energy: -102.249
tors. eta vs tors. theta energy: -166.101
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: 23
Temperature: 1.000000
Total energy: -1743.767371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.767371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.767371 (E_RNA)
where:
Base-Base interactions energy: -1210.551
where: short stacking energy: -527.271
Base-Backbone interact. energy: 0.384
local terms energy: -533.600609
where:
bonds (distance) C4'-P energy: -88.736
bonds (distance) P-C4' energy: -112.963
flat angles C4'-P-C4' energy: -114.723
flat angles P-C4'-P energy: -63.976
tors. eta vs tors. theta energy: -153.202
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1747.083435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.083435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.083435 (E_RNA)
where:
Base-Base interactions energy: -1182.309
where: short stacking energy: -523.456
Base-Backbone interact. energy: -4.489
local terms energy: -560.285436
where:
bonds (distance) C4'-P energy: -113.886
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -118.207
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -167.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1655.438001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.438001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.438001 (E_RNA)
where:
Base-Base interactions energy: -1110.984
where: short stacking energy: -494.009
Base-Backbone interact. energy: -1.538
local terms energy: -542.915836
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -124.370
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -151.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1557.613566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.613566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.613566 (E_RNA)
where:
Base-Base interactions energy: -1055.962
where: short stacking energy: -473.672
Base-Backbone interact. energy: 0.198
local terms energy: -501.849892
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -93.628
flat angles C4'-P-C4' energy: -106.917
flat angles P-C4'-P energy: -64.917
tors. eta vs tors. theta energy: -141.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1447.814017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.814017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.814017 (E_RNA)
where:
Base-Base interactions energy: -956.195
where: short stacking energy: -407.955
Base-Backbone interact. energy: 0.793
local terms energy: -492.411843
where:
bonds (distance) C4'-P energy: -101.153
bonds (distance) P-C4' energy: -102.623
flat angles C4'-P-C4' energy: -102.524
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -106.462
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1334.367442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.367442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.367442 (E_RNA)
where:
Base-Base interactions energy: -917.605
where: short stacking energy: -384.670
Base-Backbone interact. energy: -1.719
local terms energy: -415.044182
where:
bonds (distance) C4'-P energy: -79.182
bonds (distance) P-C4' energy: -85.156
flat angles C4'-P-C4' energy: -90.227
flat angles P-C4'-P energy: -62.648
tors. eta vs tors. theta energy: -97.831
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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1042.461787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.461787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.461787 (E_RNA)
where:
Base-Base interactions energy: -667.730
where: short stacking energy: -313.913
Base-Backbone interact. energy: -2.038
local terms energy: -372.693828
where:
bonds (distance) C4'-P energy: -93.750
bonds (distance) P-C4' energy: -78.181
flat angles C4'-P-C4' energy: -86.431
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -69.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -930.482792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.482792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.482792 (E_RNA)
where:
Base-Base interactions energy: -585.716
where: short stacking energy: -266.930
Base-Backbone interact. energy: 0.012
local terms energy: -344.778592
where:
bonds (distance) C4'-P energy: -74.956
bonds (distance) P-C4' energy: -92.374
flat angles C4'-P-C4' energy: -79.251
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -58.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1916.608868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.608868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.608868 (E_RNA)
where:
Base-Base interactions energy: -1336.791
where: short stacking energy: -589.101
Base-Backbone interact. energy: -6.222
local terms energy: -573.595523
where:
bonds (distance) C4'-P energy: -105.228
bonds (distance) P-C4' energy: -87.906
flat angles C4'-P-C4' energy: -120.662
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -172.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1852.977712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.977712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.977712 (E_RNA)
where:
Base-Base interactions energy: -1265.463
where: short stacking energy: -553.609
Base-Backbone interact. energy: -6.752
local terms energy: -580.762482
where:
bonds (distance) C4'-P energy: -100.116
bonds (distance) P-C4' energy: -101.186
flat angles C4'-P-C4' energy: -121.192
flat angles P-C4'-P energy: -91.413
tors. eta vs tors. theta energy: -166.857
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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1764.549997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.549997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.549997 (E_RNA)
where:
Base-Base interactions energy: -1194.548
where: short stacking energy: -525.081
Base-Backbone interact. energy: -3.867
local terms energy: -566.135049
where:
bonds (distance) C4'-P energy: -110.286
bonds (distance) P-C4' energy: -92.531
flat angles C4'-P-C4' energy: -121.801
flat angles P-C4'-P energy: -77.899
tors. eta vs tors. theta energy: -163.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1662.429637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.429637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.429637 (E_RNA)
where:
Base-Base interactions energy: -1128.205
where: short stacking energy: -485.575
Base-Backbone interact. energy: -0.832
local terms energy: -533.392963
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -83.621
tors. eta vs tors. theta energy: -153.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1652.802769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.802769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.802769 (E_RNA)
where:
Base-Base interactions energy: -1117.235
where: short stacking energy: -495.319
Base-Backbone interact. energy: -2.371
local terms energy: -533.196462
where:
bonds (distance) C4'-P energy: -78.509
bonds (distance) P-C4' energy: -110.945
flat angles C4'-P-C4' energy: -118.678
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -152.469
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: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1544.093245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.093245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.093245 (E_RNA)
where:
Base-Base interactions energy: -1074.169
where: short stacking energy: -468.613
Base-Backbone interact. energy: -3.037
local terms energy: -466.887044
where:
bonds (distance) C4'-P energy: -93.301
bonds (distance) P-C4' energy: -82.840
flat angles C4'-P-C4' energy: -105.633
flat angles P-C4'-P energy: -65.500
tors. eta vs tors. theta energy: -119.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1420.863261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.863261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.863261 (E_RNA)
where:
Base-Base interactions energy: -927.077
where: short stacking energy: -393.396
Base-Backbone interact. energy: -0.897
local terms energy: -492.888842
where:
bonds (distance) C4'-P energy: -101.729
bonds (distance) P-C4' energy: -100.638
flat angles C4'-P-C4' energy: -110.831
flat angles P-C4'-P energy: -73.995
tors. eta vs tors. theta energy: -105.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1292.563625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.563625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.563625 (E_RNA)
where:
Base-Base interactions energy: -861.571
where: short stacking energy: -376.846
Base-Backbone interact. energy: 0.012
local terms energy: -431.005009
where:
bonds (distance) C4'-P energy: -81.657
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -66.210
tors. eta vs tors. theta energy: -93.932
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: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -963.992042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.992042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.992042 (E_RNA)
where:
Base-Base interactions energy: -604.348
where: short stacking energy: -259.909
Base-Backbone interact. energy: -3.019
local terms energy: -356.624976
where:
bonds (distance) C4'-P energy: -74.329
bonds (distance) P-C4' energy: -100.984
flat angles C4'-P-C4' energy: -85.796
flat angles P-C4'-P energy: -67.824
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -947.552326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.552326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.552326 (E_RNA)
where:
Base-Base interactions energy: -590.231
where: short stacking energy: -284.179
Base-Backbone interact. energy: 10.029
local terms energy: -367.349949
where:
bonds (distance) C4'-P energy: -77.328
bonds (distance) P-C4' energy: -100.254
flat angles C4'-P-C4' energy: -85.086
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -42.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1914.402484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.402484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.402484 (E_RNA)
where:
Base-Base interactions energy: -1316.839
where: short stacking energy: -558.992
Base-Backbone interact. energy: -4.505
local terms energy: -593.059201
where:
bonds (distance) C4'-P energy: -105.055
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -130.256
flat angles P-C4'-P energy: -85.266
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1872.862425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.862425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.862425 (E_RNA)
where:
Base-Base interactions energy: -1270.328
where: short stacking energy: -569.506
Base-Backbone interact. energy: -0.586
local terms energy: -601.948928
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -105.566
flat angles C4'-P-C4' energy: -124.973
flat angles P-C4'-P energy: -82.640
tors. eta vs tors. theta energy: -176.063
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1728.953739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.953739 (E_RNA)
where:
Base-Base interactions energy: -1170.713
where: short stacking energy: -499.637
Base-Backbone interact. energy: 0.890
local terms energy: -559.131283
where:
bonds (distance) C4'-P energy: -104.120
bonds (distance) P-C4' energy: -106.434
flat angles C4'-P-C4' energy: -117.746
flat angles P-C4'-P energy: -75.094
tors. eta vs tors. theta energy: -155.737
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: 25
Temperature: 1.050000
Total energy: -1671.431236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.431236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.431236 (E_RNA)
where:
Base-Base interactions energy: -1121.372
where: short stacking energy: -486.990
Base-Backbone interact. energy: -2.024
local terms energy: -548.035271
where:
bonds (distance) C4'-P energy: -98.911
bonds (distance) P-C4' energy: -109.145
flat angles C4'-P-C4' energy: -109.843
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -151.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1617.841410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.841410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.841410 (E_RNA)
where:
Base-Base interactions energy: -1098.586
where: short stacking energy: -464.454
Base-Backbone interact. energy: 1.042
local terms energy: -520.297498
where:
bonds (distance) C4'-P energy: -96.856
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -107.563
flat angles P-C4'-P energy: -64.950
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: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1549.814104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.814104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.814104 (E_RNA)
where:
Base-Base interactions energy: -1062.003
where: short stacking energy: -444.105
Base-Backbone interact. energy: 0.569
local terms energy: -488.379432
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -110.307
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -129.992
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: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1363.620577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.620577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.620577 (E_RNA)
where:
Base-Base interactions energy: -904.333
where: short stacking energy: -390.985
Base-Backbone interact. energy: 1.714
local terms energy: -461.002064
where:
bonds (distance) C4'-P energy: -100.544
bonds (distance) P-C4' energy: -97.050
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -58.483
tors. eta vs tors. theta energy: -98.054
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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1276.504065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.504065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.504065 (E_RNA)
where:
Base-Base interactions energy: -851.904
where: short stacking energy: -355.576
Base-Backbone interact. energy: -3.469
local terms energy: -421.131152
where:
bonds (distance) C4'-P energy: -90.027
bonds (distance) P-C4' energy: -83.915
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -72.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1022.787727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.787727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.787727 (E_RNA)
where:
Base-Base interactions energy: -638.202
where: short stacking energy: -295.484
Base-Backbone interact. energy: -1.477
local terms energy: -383.109445
where:
bonds (distance) C4'-P energy: -80.322
bonds (distance) P-C4' energy: -90.385
flat angles C4'-P-C4' energy: -94.355
flat angles P-C4'-P energy: -52.360
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -912.860257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.860257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.860257 (E_RNA)
where:
Base-Base interactions energy: -562.694
where: short stacking energy: -263.406
Base-Backbone interact. energy: 3.098
local terms energy: -353.263851
where:
bonds (distance) C4'-P energy: -88.449
bonds (distance) P-C4' energy: -104.655
flat angles C4'-P-C4' energy: -87.398
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1927.578858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.578858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.578858 (E_RNA)
where:
Base-Base interactions energy: -1332.804
where: short stacking energy: -540.517
Base-Backbone interact. energy: -2.263
local terms energy: -592.512037
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -111.051
flat angles C4'-P-C4' energy: -127.613
flat angles P-C4'-P energy: -82.680
tors. eta vs tors. theta energy: -160.290
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: 26
Temperature: 0.950000
Total energy: -1848.538626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.538626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.538626 (E_RNA)
where:
Base-Base interactions energy: -1260.356
where: short stacking energy: -551.082
Base-Backbone interact. energy: -4.714
local terms energy: -583.469426
where:
bonds (distance) C4'-P energy: -110.049
bonds (distance) P-C4' energy: -106.089
flat angles C4'-P-C4' energy: -119.209
flat angles P-C4'-P energy: -76.984
tors. eta vs tors. theta energy: -171.139
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: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1758.670453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.670453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.670453 (E_RNA)
where:
Base-Base interactions energy: -1219.437
where: short stacking energy: -510.630
Base-Backbone interact. energy: -2.302
local terms energy: -536.930788
where:
bonds (distance) C4'-P energy: -95.088
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -123.888
flat angles P-C4'-P energy: -77.530
tors. eta vs tors. theta energy: -152.229
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: 26
Temperature: 1.050000
Total energy: -1662.008465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.008465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.008465 (E_RNA)
where:
Base-Base interactions energy: -1139.852
where: short stacking energy: -483.211
Base-Backbone interact. energy: -1.288
local terms energy: -520.868418
where:
bonds (distance) C4'-P energy: -117.787
bonds (distance) P-C4' energy: -92.962
flat angles C4'-P-C4' energy: -113.669
flat angles P-C4'-P energy: -72.864
tors. eta vs tors. theta energy: -123.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1626.146973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.146973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.146973 (E_RNA)
where:
Base-Base interactions energy: -1098.793
where: short stacking energy: -480.188
Base-Backbone interact. energy: -2.589
local terms energy: -524.764858
where:
bonds (distance) C4'-P energy: -87.594
bonds (distance) P-C4' energy: -99.765
flat angles C4'-P-C4' energy: -114.513
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: -148.106
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: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1563.138342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.138342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.138342 (E_RNA)
where:
Base-Base interactions energy: -1074.087
where: short stacking energy: -461.860
Base-Backbone interact. energy: -0.956
local terms energy: -488.095271
where:
bonds (distance) C4'-P energy: -87.312
bonds (distance) P-C4' energy: -103.124
flat angles C4'-P-C4' energy: -111.763
flat angles P-C4'-P energy: -58.147
tors. eta vs tors. theta energy: -127.748
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1371.948436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.948436 (E_RNA)
where:
Base-Base interactions energy: -916.292
where: short stacking energy: -388.774
Base-Backbone interact. energy: -2.700
local terms energy: -452.956095
where:
bonds (distance) C4'-P energy: -92.523
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -99.332
flat angles P-C4'-P energy: -70.186
tors. eta vs tors. theta energy: -93.669
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: 26
Temperature: 1.250000
Total energy: -1338.252314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.252314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.252314 (E_RNA)
where:
Base-Base interactions energy: -892.076
where: short stacking energy: -390.155
Base-Backbone interact. energy: 1.328
local terms energy: -447.503983
where:
bonds (distance) C4'-P energy: -91.756
bonds (distance) P-C4' energy: -98.434
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: -110.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1024.040146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.040146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.040146 (E_RNA)
where:
Base-Base interactions energy: -641.827
where: short stacking energy: -293.029
Base-Backbone interact. energy: 0.868
local terms energy: -383.081249
where:
bonds (distance) C4'-P energy: -86.498
bonds (distance) P-C4' energy: -76.172
flat angles C4'-P-C4' energy: -97.688
flat angles P-C4'-P energy: -59.322
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -980.277161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.277161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.277161 (E_RNA)
where:
Base-Base interactions energy: -581.384
where: short stacking energy: -260.572
Base-Backbone interact. energy: -5.486
local terms energy: -393.407637
where:
bonds (distance) C4'-P energy: -104.611
bonds (distance) P-C4' energy: -91.291
flat angles C4'-P-C4' energy: -95.869
flat angles P-C4'-P energy: -55.077
tors. eta vs tors. theta energy: -46.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1923.310821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.310821 (E_RNA)
where:
Base-Base interactions energy: -1338.115
where: short stacking energy: -553.458
Base-Backbone interact. energy: -1.856
local terms energy: -583.339721
where:
bonds (distance) C4'-P energy: -103.505
bonds (distance) P-C4' energy: -107.990
flat angles C4'-P-C4' energy: -121.502
flat angles P-C4'-P energy: -87.618
tors. eta vs tors. theta energy: -162.724
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: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1827.391428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.391428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.391428 (E_RNA)
where:
Base-Base interactions energy: -1243.350
where: short stacking energy: -538.694
Base-Backbone interact. energy: -3.369
local terms energy: -580.672178
where:
bonds (distance) C4'-P energy: -97.611
bonds (distance) P-C4' energy: -104.625
flat angles C4'-P-C4' energy: -120.613
flat angles P-C4'-P energy: -86.823
tors. eta vs tors. theta energy: -171.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1769.759184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.759184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.759184 (E_RNA)
where:
Base-Base interactions energy: -1192.994
where: short stacking energy: -529.866
Base-Backbone interact. energy: -1.641
local terms energy: -575.124005
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -106.742
flat angles C4'-P-C4' energy: -121.479
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -160.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1715.499799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.499799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.499799 (E_RNA)
where:
Base-Base interactions energy: -1158.879
where: short stacking energy: -518.930
Base-Backbone interact. energy: -2.809
local terms energy: -553.811808
where:
bonds (distance) C4'-P energy: -103.123
bonds (distance) P-C4' energy: -108.352
flat angles C4'-P-C4' energy: -110.178
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -145.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1635.250885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.250885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.250885 (E_RNA)
where:
Base-Base interactions energy: -1122.540
where: short stacking energy: -458.365
Base-Backbone interact. energy: -1.461
local terms energy: -511.249968
where:
bonds (distance) C4'-P energy: -86.008
bonds (distance) P-C4' energy: -100.936
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -77.688
tors. eta vs tors. theta energy: -131.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1557.151576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.151576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.151576 (E_RNA)
where:
Base-Base interactions energy: -1046.505
where: short stacking energy: -436.773
Base-Backbone interact. energy: -2.115
local terms energy: -508.530951
where:
bonds (distance) C4'-P energy: -102.607
bonds (distance) P-C4' energy: -93.560
flat angles C4'-P-C4' energy: -113.444
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -129.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1366.580660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.580660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.580660 (E_RNA)
where:
Base-Base interactions energy: -928.333
where: short stacking energy: -401.154
Base-Backbone interact. energy: 0.531
local terms energy: -438.778303
where:
bonds (distance) C4'-P energy: -91.590
bonds (distance) P-C4' energy: -91.078
flat angles C4'-P-C4' energy: -91.628
flat angles P-C4'-P energy: -60.557
tors. eta vs tors. theta energy: -103.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1338.168013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.168013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.168013 (E_RNA)
where:
Base-Base interactions energy: -899.408
where: short stacking energy: -395.636
Base-Backbone interact. energy: 0.512
local terms energy: -439.272218
where:
bonds (distance) C4'-P energy: -75.199
bonds (distance) P-C4' energy: -98.736
flat angles C4'-P-C4' energy: -80.387
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -115.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -952.040944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.040944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.040944 (E_RNA)
where:
Base-Base interactions energy: -625.609
where: short stacking energy: -272.213
Base-Backbone interact. energy: 0.854
local terms energy: -327.285056
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -75.245
flat angles C4'-P-C4' energy: -81.337
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -49.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -919.150014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.150014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.150014 (E_RNA)
where:
Base-Base interactions energy: -577.231
where: short stacking energy: -272.313
Base-Backbone interact. energy: -1.574
local terms energy: -340.345102
where:
bonds (distance) C4'-P energy: -65.245
bonds (distance) P-C4' energy: -90.598
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -42.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1954.585089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.585089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.585089 (E_RNA)
where:
Base-Base interactions energy: -1373.493
where: short stacking energy: -590.217
Base-Backbone interact. energy: -3.473
local terms energy: -577.619071
where:
bonds (distance) C4'-P energy: -105.465
bonds (distance) P-C4' energy: -100.731
flat angles C4'-P-C4' energy: -113.459
flat angles P-C4'-P energy: -86.873
tors. eta vs tors. theta energy: -171.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1834.305381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.305381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.305381 (E_RNA)
where:
Base-Base interactions energy: -1253.341
where: short stacking energy: -562.859
Base-Backbone interact. energy: -3.109
local terms energy: -577.855837
where:
bonds (distance) C4'-P energy: -104.436
bonds (distance) P-C4' energy: -107.349
flat angles C4'-P-C4' energy: -118.816
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -164.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1779.497750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.497750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.497750 (E_RNA)
where:
Base-Base interactions energy: -1206.986
where: short stacking energy: -511.738
Base-Backbone interact. energy: -1.546
local terms energy: -570.966024
where:
bonds (distance) C4'-P energy: -107.544
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -120.271
flat angles P-C4'-P energy: -82.298
tors. eta vs tors. theta energy: -159.311
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: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1681.466227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.466227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.466227 (E_RNA)
where:
Base-Base interactions energy: -1148.851
where: short stacking energy: -505.215
Base-Backbone interact. energy: -1.566
local terms energy: -531.048829
where:
bonds (distance) C4'-P energy: -96.937
bonds (distance) P-C4' energy: -87.618
flat angles C4'-P-C4' energy: -118.000
flat angles P-C4'-P energy: -79.155
tors. eta vs tors. theta energy: -149.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1611.237680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.237680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.237680 (E_RNA)
where:
Base-Base interactions energy: -1098.209
where: short stacking energy: -478.566
Base-Backbone interact. energy: -1.440
local terms energy: -511.588311
where:
bonds (distance) C4'-P energy: -99.279
bonds (distance) P-C4' energy: -96.373
flat angles C4'-P-C4' energy: -107.404
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -129.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1593.625003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.625003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.625003 (E_RNA)
where:
Base-Base interactions energy: -1085.762
where: short stacking energy: -471.561
Base-Backbone interact. energy: -0.996
local terms energy: -506.866448
where:
bonds (distance) C4'-P energy: -102.214
bonds (distance) P-C4' energy: -115.022
flat angles C4'-P-C4' energy: -101.310
flat angles P-C4'-P energy: -66.296
tors. eta vs tors. theta energy: -122.024
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1401.611949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.611949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.611949 (E_RNA)
where:
Base-Base interactions energy: -923.037
where: short stacking energy: -403.755
Base-Backbone interact. energy: -0.692
local terms energy: -477.882400
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -91.302
flat angles C4'-P-C4' energy: -109.466
flat angles P-C4'-P energy: -68.595
tors. eta vs tors. theta energy: -115.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1323.595114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.595114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.595114 (E_RNA)
where:
Base-Base interactions energy: -901.914
where: short stacking energy: -370.587
Base-Backbone interact. energy: -2.186
local terms energy: -419.495005
where:
bonds (distance) C4'-P energy: -93.414
bonds (distance) P-C4' energy: -76.944
flat angles C4'-P-C4' energy: -95.279
flat angles P-C4'-P energy: -64.401
tors. eta vs tors. theta energy: -89.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -992.592118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.592118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.592118 (E_RNA)
where:
Base-Base interactions energy: -629.506
where: short stacking energy: -291.800
Base-Backbone interact. energy: 2.057
local terms energy: -365.143047
where:
bonds (distance) C4'-P energy: -82.491
bonds (distance) P-C4' energy: -82.259
flat angles C4'-P-C4' energy: -82.878
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: -62.467
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: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -908.318582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.318582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.318582 (E_RNA)
where:
Base-Base interactions energy: -570.202
where: short stacking energy: -249.570
Base-Backbone interact. energy: -1.288
local terms energy: -336.828732
where:
bonds (distance) C4'-P energy: -87.767
bonds (distance) P-C4' energy: -82.974
flat angles C4'-P-C4' energy: -90.721
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -38.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1955.051130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.051130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.051130 (E_RNA)
where:
Base-Base interactions energy: -1345.205
where: short stacking energy: -568.499
Base-Backbone interact. energy: -3.088
local terms energy: -606.758758
where:
bonds (distance) C4'-P energy: -104.001
bonds (distance) P-C4' energy: -116.432
flat angles C4'-P-C4' energy: -119.622
flat angles P-C4'-P energy: -86.355
tors. eta vs tors. theta energy: -180.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1822.429004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.429004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.429004 (E_RNA)
where:
Base-Base interactions energy: -1241.872
where: short stacking energy: -538.061
Base-Backbone interact. energy: -1.613
local terms energy: -578.943824
where:
bonds (distance) C4'-P energy: -110.282
bonds (distance) P-C4' energy: -103.550
flat angles C4'-P-C4' energy: -118.326
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -164.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1791.764432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.764432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.764432 (E_RNA)
where:
Base-Base interactions energy: -1217.460
where: short stacking energy: -538.110
Base-Backbone interact. energy: -1.285
local terms energy: -573.019381
where:
bonds (distance) C4'-P energy: -104.443
bonds (distance) P-C4' energy: -106.483
flat angles C4'-P-C4' energy: -125.066
flat angles P-C4'-P energy: -75.474
tors. eta vs tors. theta energy: -161.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1672.789855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.789855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.789855 (E_RNA)
where:
Base-Base interactions energy: -1155.636
where: short stacking energy: -517.801
Base-Backbone interact. energy: 1.201
local terms energy: -518.355796
where:
bonds (distance) C4'-P energy: -104.258
bonds (distance) P-C4' energy: -109.708
flat angles C4'-P-C4' energy: -92.229
flat angles P-C4'-P energy: -67.337
tors. eta vs tors. theta energy: -144.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1617.737703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.737703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.737703 (E_RNA)
where:
Base-Base interactions energy: -1062.072
where: short stacking energy: -458.505
Base-Backbone interact. energy: -0.644
local terms energy: -555.021073
where:
bonds (distance) C4'-P energy: -103.794
bonds (distance) P-C4' energy: -120.377
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -79.421
tors. eta vs tors. theta energy: -135.564
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: 29
Temperature: 1.150000
Total energy: -1548.659629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.659629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.659629 (E_RNA)
where:
Base-Base interactions energy: -1067.688
where: short stacking energy: -476.560
Base-Backbone interact. energy: 7.038
local terms energy: -488.008832
where:
bonds (distance) C4'-P energy: -91.419
bonds (distance) P-C4' energy: -71.457
flat angles C4'-P-C4' energy: -124.880
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -130.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1324.973718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.973718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.973718 (E_RNA)
where:
Base-Base interactions energy: -871.649
where: short stacking energy: -368.530
Base-Backbone interact. energy: -2.589
local terms energy: -450.736681
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -91.856
flat angles C4'-P-C4' energy: -103.543
flat angles P-C4'-P energy: -70.801
tors. eta vs tors. theta energy: -97.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1322.195372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.195372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.195372 (E_RNA)
where:
Base-Base interactions energy: -882.613
where: short stacking energy: -370.834
Base-Backbone interact. energy: -3.402
local terms energy: -436.180623
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -96.289
flat angles C4'-P-C4' energy: -111.647
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -97.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1039.625315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.625315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.625315 (E_RNA)
where:
Base-Base interactions energy: -673.934
where: short stacking energy: -282.063
Base-Backbone interact. energy: -1.566
local terms energy: -364.124887
where:
bonds (distance) C4'-P energy: -79.118
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -94.518
flat angles P-C4'-P energy: -53.911
tors. eta vs tors. theta energy: -50.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -859.302550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.302550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.302550 (E_RNA)
where:
Base-Base interactions energy: -517.443
where: short stacking energy: -239.285
Base-Backbone interact. energy: -0.298
local terms energy: -341.561800
where:
bonds (distance) C4'-P energy: -84.286
bonds (distance) P-C4' energy: -94.059
flat angles C4'-P-C4' energy: -81.935
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -41.886
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: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1928.655990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.655990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.655990 (E_RNA)
where:
Base-Base interactions energy: -1341.185
where: short stacking energy: -577.398
Base-Backbone interact. energy: -1.807
local terms energy: -585.663464
where:
bonds (distance) C4'-P energy: -105.277
bonds (distance) P-C4' energy: -109.910
flat angles C4'-P-C4' energy: -119.287
flat angles P-C4'-P energy: -83.059
tors. eta vs tors. theta energy: -168.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1838.392982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.392982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.392982 (E_RNA)
where:
Base-Base interactions energy: -1250.892
where: short stacking energy: -564.855
Base-Backbone interact. energy: -3.681
local terms energy: -583.820061
where:
bonds (distance) C4'-P energy: -109.313
bonds (distance) P-C4' energy: -111.816
flat angles C4'-P-C4' energy: -115.951
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -171.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1777.989509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.989509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.989509 (E_RNA)
where:
Base-Base interactions energy: -1232.272
where: short stacking energy: -552.200
Base-Backbone interact. energy: -4.078
local terms energy: -541.639075
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -103.694
flat angles C4'-P-C4' energy: -110.553
flat angles P-C4'-P energy: -70.928
tors. eta vs tors. theta energy: -160.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1702.772618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.772618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.772618 (E_RNA)
where:
Base-Base interactions energy: -1151.818
where: short stacking energy: -530.975
Base-Backbone interact. energy: 0.027
local terms energy: -550.981132
where:
bonds (distance) C4'-P energy: -103.206
bonds (distance) P-C4' energy: -102.253
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -62.954
tors. eta vs tors. theta energy: -171.097
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1617.986013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.986013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.986013 (E_RNA)
where:
Base-Base interactions energy: -1107.902
where: short stacking energy: -472.399
Base-Backbone interact. energy: 0.529
local terms energy: -510.613624
where:
bonds (distance) C4'-P energy: -94.126
bonds (distance) P-C4' energy: -107.063
flat angles C4'-P-C4' energy: -111.419
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -129.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1564.928808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.928808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.928808 (E_RNA)
where:
Base-Base interactions energy: -1058.058
where: short stacking energy: -458.751
Base-Backbone interact. energy: -3.275
local terms energy: -503.595433
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -94.146
flat angles C4'-P-C4' energy: -102.901
flat angles P-C4'-P energy: -75.791
tors. eta vs tors. theta energy: -125.928
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1346.949016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.949016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.949016 (E_RNA)
where:
Base-Base interactions energy: -932.584
where: short stacking energy: -387.135
Base-Backbone interact. energy: -4.295
local terms energy: -410.069804
where:
bonds (distance) C4'-P energy: -71.124
bonds (distance) P-C4' energy: -77.340
flat angles C4'-P-C4' energy: -104.191
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: -95.559
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: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1234.502738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.502738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.502738 (E_RNA)
where:
Base-Base interactions energy: -840.264
where: short stacking energy: -345.792
Base-Backbone interact. energy: -0.470
local terms energy: -393.768853
where:
bonds (distance) C4'-P energy: -61.268
bonds (distance) P-C4' energy: -86.487
flat angles C4'-P-C4' energy: -89.349
flat angles P-C4'-P energy: -73.689
tors. eta vs tors. theta energy: -82.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1015.111778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.111778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.111778 (E_RNA)
where:
Base-Base interactions energy: -626.555
where: short stacking energy: -262.059
Base-Backbone interact. energy: 0.485
local terms energy: -389.041768
where:
bonds (distance) C4'-P energy: -88.154
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -91.252
flat angles P-C4'-P energy: -61.844
tors. eta vs tors. theta energy: -60.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -840.965405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.965405 (E_RNA)
where:
Base-Base interactions energy: -537.186
where: short stacking energy: -253.276
Base-Backbone interact. energy: -0.596
local terms energy: -303.184053
where:
bonds (distance) C4'-P energy: -59.231
bonds (distance) P-C4' energy: -83.705
flat angles C4'-P-C4' energy: -75.810
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1921.213328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.213328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.213328 (E_RNA)
where:
Base-Base interactions energy: -1340.923
where: short stacking energy: -566.761
Base-Backbone interact. energy: -4.669
local terms energy: -575.622125
where:
bonds (distance) C4'-P energy: -101.644
bonds (distance) P-C4' energy: -107.426
flat angles C4'-P-C4' energy: -121.103
flat angles P-C4'-P energy: -75.131
tors. eta vs tors. theta energy: -170.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1830.204036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.204036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.204036 (E_RNA)
where:
Base-Base interactions energy: -1245.666
where: short stacking energy: -542.813
Base-Backbone interact. energy: -1.656
local terms energy: -582.882445
where:
bonds (distance) C4'-P energy: -100.611
bonds (distance) P-C4' energy: -110.956
flat angles C4'-P-C4' energy: -119.962
flat angles P-C4'-P energy: -87.205
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: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1799.212250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.212250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.212250 (E_RNA)
where:
Base-Base interactions energy: -1244.398
where: short stacking energy: -532.432
Base-Backbone interact. energy: -2.529
local terms energy: -552.286115
where:
bonds (distance) C4'-P energy: -102.263
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -119.277
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -155.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1705.131892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.131892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.131892 (E_RNA)
where:
Base-Base interactions energy: -1152.061
where: short stacking energy: -502.903
Base-Backbone interact. energy: -0.645
local terms energy: -552.426679
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -92.169
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -92.912
tors. eta vs tors. theta energy: -146.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1653.422177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.422177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.422177 (E_RNA)
where:
Base-Base interactions energy: -1151.605
where: short stacking energy: -501.900
Base-Backbone interact. energy: 3.515
local terms energy: -505.332261
where:
bonds (distance) C4'-P energy: -83.862
bonds (distance) P-C4' energy: -101.465
flat angles C4'-P-C4' energy: -119.567
flat angles P-C4'-P energy: -69.529
tors. eta vs tors. theta energy: -130.909
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: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1535.628853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.628853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.628853 (E_RNA)
where:
Base-Base interactions energy: -1029.673
where: short stacking energy: -459.357
Base-Backbone interact. energy: -1.294
local terms energy: -504.662502
where:
bonds (distance) C4'-P energy: -83.350
bonds (distance) P-C4' energy: -105.667
flat angles C4'-P-C4' energy: -116.194
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -132.476
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1336.174148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.174148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.174148 (E_RNA)
where:
Base-Base interactions energy: -906.959
where: short stacking energy: -393.964
Base-Backbone interact. energy: 9.720
local terms energy: -438.935648
where:
bonds (distance) C4'-P energy: -77.327
bonds (distance) P-C4' energy: -103.239
flat angles C4'-P-C4' energy: -97.090
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -105.836
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: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1218.749236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.749236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.749236 (E_RNA)
where:
Base-Base interactions energy: -829.099
where: short stacking energy: -351.703
Base-Backbone interact. energy: -0.032
local terms energy: -389.618109
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -100.887
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -51.589
tors. eta vs tors. theta energy: -77.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1042.780308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.780308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.780308 (E_RNA)
where:
Base-Base interactions energy: -662.959
where: short stacking energy: -319.144
Base-Backbone interact. energy: -1.660
local terms energy: -378.161916
where:
bonds (distance) C4'-P energy: -80.943
bonds (distance) P-C4' energy: -90.521
flat angles C4'-P-C4' energy: -100.133
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -56.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -875.755419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.755419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.755419 (E_RNA)
where:
Base-Base interactions energy: -542.592
where: short stacking energy: -251.155
Base-Backbone interact. energy: 1.337
local terms energy: -334.500529
where:
bonds (distance) C4'-P energy: -89.497
bonds (distance) P-C4' energy: -83.556
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -53.071
tors. eta vs tors. theta energy: -29.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1921.392799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.392799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.392799 (E_RNA)
where:
Base-Base interactions energy: -1342.027
where: short stacking energy: -572.853
Base-Backbone interact. energy: -2.151
local terms energy: -577.214761
where:
bonds (distance) C4'-P energy: -88.895
bonds (distance) P-C4' energy: -113.001
flat angles C4'-P-C4' energy: -121.360
flat angles P-C4'-P energy: -81.736
tors. eta vs tors. theta energy: -172.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1829.095992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.095992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.095992 (E_RNA)
where:
Base-Base interactions energy: -1247.310
where: short stacking energy: -557.917
Base-Backbone interact. energy: -1.585
local terms energy: -580.200788
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -118.121
flat angles C4'-P-C4' energy: -120.806
flat angles P-C4'-P energy: -71.627
tors. eta vs tors. theta energy: -171.450
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: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1785.453777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.453777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.453777 (E_RNA)
where:
Base-Base interactions energy: -1213.155
where: short stacking energy: -541.901
Base-Backbone interact. energy: 0.387
local terms energy: -572.685660
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -110.685
flat angles C4'-P-C4' energy: -119.057
flat angles P-C4'-P energy: -73.114
tors. eta vs tors. theta energy: -166.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1703.944405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.944405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.944405 (E_RNA)
where:
Base-Base interactions energy: -1164.993
where: short stacking energy: -517.248
Base-Backbone interact. energy: -1.221
local terms energy: -537.730135
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -102.401
flat angles C4'-P-C4' energy: -113.691
flat angles P-C4'-P energy: -68.252
tors. eta vs tors. theta energy: -150.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1601.329657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.329657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.329657 (E_RNA)
where:
Base-Base interactions energy: -1090.798
where: short stacking energy: -495.405
Base-Backbone interact. energy: -2.219
local terms energy: -508.312806
where:
bonds (distance) C4'-P energy: -91.520
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -107.000
flat angles P-C4'-P energy: -67.497
tors. eta vs tors. theta energy: -148.663
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: 32
Temperature: 1.150000
Total energy: -1574.762527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.762527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.762527 (E_RNA)
where:
Base-Base interactions energy: -1094.191
where: short stacking energy: -452.376
Base-Backbone interact. energy: 3.323
local terms energy: -483.894906
where:
bonds (distance) C4'-P energy: -86.855
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -101.400
flat angles P-C4'-P energy: -66.805
tors. eta vs tors. theta energy: -129.319
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1319.372893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.372893 (E_RNA)
where:
Base-Base interactions energy: -850.841
where: short stacking energy: -369.017
Base-Backbone interact. energy: 1.268
local terms energy: -469.799897
where:
bonds (distance) C4'-P energy: -108.021
bonds (distance) P-C4' energy: -95.868
flat angles C4'-P-C4' energy: -108.618
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -84.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1221.135934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.135934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.135934 (E_RNA)
where:
Base-Base interactions energy: -775.321
where: short stacking energy: -342.309
Base-Backbone interact. energy: -1.237
local terms energy: -444.577614
where:
bonds (distance) C4'-P energy: -99.144
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -94.283
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -82.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1039.878597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.878597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.878597 (E_RNA)
where:
Base-Base interactions energy: -647.689
where: short stacking energy: -304.841
Base-Backbone interact. energy: -0.184
local terms energy: -392.005331
where:
bonds (distance) C4'-P energy: -113.329
bonds (distance) P-C4' energy: -77.289
flat angles C4'-P-C4' energy: -77.022
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -872.792846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.792846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.792846 (E_RNA)
where:
Base-Base interactions energy: -547.436
where: short stacking energy: -263.813
Base-Backbone interact. energy: 1.983
local terms energy: -327.339550
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -92.230
flat angles C4'-P-C4' energy: -83.243
flat angles P-C4'-P energy: -50.637
tors. eta vs tors. theta energy: -36.118
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: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1917.323156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.323156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.323156 (E_RNA)
where:
Base-Base interactions energy: -1333.686
where: short stacking energy: -552.127
Base-Backbone interact. energy: -4.217
local terms energy: -579.420112
where:
bonds (distance) C4'-P energy: -104.708
bonds (distance) P-C4' energy: -98.278
flat angles C4'-P-C4' energy: -117.552
flat angles P-C4'-P energy: -92.472
tors. eta vs tors. theta energy: -166.410
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1851.760655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.760655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.760655 (E_RNA)
where:
Base-Base interactions energy: -1256.983
where: short stacking energy: -554.258
Base-Backbone interact. energy: -2.913
local terms energy: -591.865013
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -111.752
flat angles C4'-P-C4' energy: -113.770
flat angles P-C4'-P energy: -86.699
tors. eta vs tors. theta energy: -175.194
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1741.570250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.570250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.570250 (E_RNA)
where:
Base-Base interactions energy: -1186.470
where: short stacking energy: -516.771
Base-Backbone interact. energy: -2.268
local terms energy: -552.832501
where:
bonds (distance) C4'-P energy: -103.058
bonds (distance) P-C4' energy: -100.863
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -84.181
tors. eta vs tors. theta energy: -150.404
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: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1707.251507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.251507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.251507 (E_RNA)
where:
Base-Base interactions energy: -1143.468
where: short stacking energy: -486.759
Base-Backbone interact. energy: -0.564
local terms energy: -563.219689
where:
bonds (distance) C4'-P energy: -106.039
bonds (distance) P-C4' energy: -99.198
flat angles C4'-P-C4' energy: -111.789
flat angles P-C4'-P energy: -90.512
tors. eta vs tors. theta energy: -155.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1622.789557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.789557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.789557 (E_RNA)
where:
Base-Base interactions energy: -1138.826
where: short stacking energy: -475.316
Base-Backbone interact. energy: -1.142
local terms energy: -482.821463
where:
bonds (distance) C4'-P energy: -87.045
bonds (distance) P-C4' energy: -93.697
flat angles C4'-P-C4' energy: -104.975
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -125.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1589.774390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.774390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.774390 (E_RNA)
where:
Base-Base interactions energy: -1094.517
where: short stacking energy: -484.280
Base-Backbone interact. energy: 1.961
local terms energy: -497.218367
where:
bonds (distance) C4'-P energy: -90.180
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -105.625
flat angles P-C4'-P energy: -67.926
tors. eta vs tors. theta energy: -139.038
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1339.960577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.960577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.960577 (E_RNA)
where:
Base-Base interactions energy: -876.204
where: short stacking energy: -394.385
Base-Backbone interact. energy: 3.173
local terms energy: -466.929831
where:
bonds (distance) C4'-P energy: -101.396
bonds (distance) P-C4' energy: -92.383
flat angles C4'-P-C4' energy: -111.834
flat angles P-C4'-P energy: -61.605
tors. eta vs tors. theta energy: -99.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1281.063634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.063634 (E_RNA)
where:
Base-Base interactions energy: -846.301
where: short stacking energy: -370.108
Base-Backbone interact. energy: -3.319
local terms energy: -431.443367
where:
bonds (distance) C4'-P energy: -96.063
bonds (distance) P-C4' energy: -103.031
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -90.701
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: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1023.367042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.367042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.367042 (E_RNA)
where:
Base-Base interactions energy: -654.219
where: short stacking energy: -281.647
Base-Backbone interact. energy: -0.390
local terms energy: -368.757948
where:
bonds (distance) C4'-P energy: -93.813
bonds (distance) P-C4' energy: -85.149
flat angles C4'-P-C4' energy: -89.557
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -48.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -882.181666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.181666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.181666 (E_RNA)
where:
Base-Base interactions energy: -534.262
where: short stacking energy: -234.233
Base-Backbone interact. energy: 0.670
local terms energy: -348.590170
where:
bonds (distance) C4'-P energy: -85.606
bonds (distance) P-C4' energy: -87.798
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -58.840
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1905.098955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.098955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.098955 (E_RNA)
where:
Base-Base interactions energy: -1313.131
where: short stacking energy: -575.128
Base-Backbone interact. energy: -5.878
local terms energy: -586.090570
where:
bonds (distance) C4'-P energy: -104.771
bonds (distance) P-C4' energy: -116.684
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -83.208
tors. eta vs tors. theta energy: -164.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1821.842634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.842634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.842634 (E_RNA)
where:
Base-Base interactions energy: -1245.498
where: short stacking energy: -539.284
Base-Backbone interact. energy: -2.735
local terms energy: -573.610370
where:
bonds (distance) C4'-P energy: -107.405
bonds (distance) P-C4' energy: -104.931
flat angles C4'-P-C4' energy: -120.079
flat angles P-C4'-P energy: -81.182
tors. eta vs tors. theta energy: -160.012
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1761.020539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.020539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.020539 (E_RNA)
where:
Base-Base interactions energy: -1170.617
where: short stacking energy: -513.430
Base-Backbone interact. energy: -2.547
local terms energy: -587.856589
where:
bonds (distance) C4'-P energy: -113.039
bonds (distance) P-C4' energy: -105.332
flat angles C4'-P-C4' energy: -122.923
flat angles P-C4'-P energy: -87.630
tors. eta vs tors. theta energy: -158.932
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: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1708.447532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.447532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.447532 (E_RNA)
where:
Base-Base interactions energy: -1173.313
where: short stacking energy: -507.615
Base-Backbone interact. energy: -0.068
local terms energy: -535.066016
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -105.848
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -142.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1616.923059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.923059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.923059 (E_RNA)
where:
Base-Base interactions energy: -1106.562
where: short stacking energy: -493.352
Base-Backbone interact. energy: 0.145
local terms energy: -510.506465
where:
bonds (distance) C4'-P energy: -79.343
bonds (distance) P-C4' energy: -108.475
flat angles C4'-P-C4' energy: -119.709
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -136.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1604.410660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.410660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.410660 (E_RNA)
where:
Base-Base interactions energy: -1104.731
where: short stacking energy: -504.628
Base-Backbone interact. energy: -0.121
local terms energy: -499.558371
where:
bonds (distance) C4'-P energy: -77.898
bonds (distance) P-C4' energy: -96.483
flat angles C4'-P-C4' energy: -116.312
flat angles P-C4'-P energy: -61.615
tors. eta vs tors. theta energy: -147.251
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1319.702640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.702640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.702640 (E_RNA)
where:
Base-Base interactions energy: -863.105
where: short stacking energy: -360.797
Base-Backbone interact. energy: -2.844
local terms energy: -453.753893
where:
bonds (distance) C4'-P energy: -98.222
bonds (distance) P-C4' energy: -96.469
flat angles C4'-P-C4' energy: -102.147
flat angles P-C4'-P energy: -71.512
tors. eta vs tors. theta energy: -85.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1273.338513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.338513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.338513 (E_RNA)
where:
Base-Base interactions energy: -850.074
where: short stacking energy: -361.196
Base-Backbone interact. energy: -1.620
local terms energy: -421.645054
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -81.922
flat angles C4'-P-C4' energy: -101.606
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -87.004
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1086.201797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.201797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.201797 (E_RNA)
where:
Base-Base interactions energy: -724.999
where: short stacking energy: -301.445
Base-Backbone interact. energy: -0.498
local terms energy: -360.704518
where:
bonds (distance) C4'-P energy: -70.531
bonds (distance) P-C4' energy: -82.284
flat angles C4'-P-C4' energy: -86.810
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -60.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -917.839827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.839827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.839827 (E_RNA)
where:
Base-Base interactions energy: -546.438
where: short stacking energy: -270.996
Base-Backbone interact. energy: 0.768
local terms energy: -372.169750
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -87.719
flat angles C4'-P-C4' energy: -103.403
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -42.827
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: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1894.074009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.074009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.074009 (E_RNA)
where:
Base-Base interactions energy: -1306.958
where: short stacking energy: -556.751
Base-Backbone interact. energy: -2.024
local terms energy: -585.092128
where:
bonds (distance) C4'-P energy: -109.473
bonds (distance) P-C4' energy: -109.580
flat angles C4'-P-C4' energy: -122.674
flat angles P-C4'-P energy: -77.253
tors. eta vs tors. theta energy: -166.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1836.607007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.607007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.607007 (E_RNA)
where:
Base-Base interactions energy: -1234.161
where: short stacking energy: -559.557
Base-Backbone interact. energy: -3.108
local terms energy: -599.337927
where:
bonds (distance) C4'-P energy: -106.622
bonds (distance) P-C4' energy: -106.297
flat angles C4'-P-C4' energy: -124.544
flat angles P-C4'-P energy: -94.739
tors. eta vs tors. theta energy: -167.136
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: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1769.738260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.738260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.738260 (E_RNA)
where:
Base-Base interactions energy: -1219.566
where: short stacking energy: -535.666
Base-Backbone interact. energy: -2.067
local terms energy: -548.104606
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -110.650
flat angles C4'-P-C4' energy: -122.144
flat angles P-C4'-P energy: -74.758
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1705.607129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.607129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.607129 (E_RNA)
where:
Base-Base interactions energy: -1162.890
where: short stacking energy: -524.912
Base-Backbone interact. energy: -1.116
local terms energy: -541.601419
where:
bonds (distance) C4'-P energy: -94.571
bonds (distance) P-C4' energy: -93.945
flat angles C4'-P-C4' energy: -118.744
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -154.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1609.237085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.237085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.237085 (E_RNA)
where:
Base-Base interactions energy: -1061.205
where: short stacking energy: -464.654
Base-Backbone interact. energy: -1.328
local terms energy: -546.704556
where:
bonds (distance) C4'-P energy: -94.409
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -112.259
flat angles P-C4'-P energy: -93.006
tors. eta vs tors. theta energy: -140.560
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: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1584.067232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.067232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.067232 (E_RNA)
where:
Base-Base interactions energy: -1071.798
where: short stacking energy: -463.706
Base-Backbone interact. energy: -2.078
local terms energy: -510.190715
where:
bonds (distance) C4'-P energy: -94.462
bonds (distance) P-C4' energy: -102.484
flat angles C4'-P-C4' energy: -109.821
flat angles P-C4'-P energy: -73.115
tors. eta vs tors. theta energy: -130.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1349.906556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.906556 (E_RNA)
where:
Base-Base interactions energy: -911.377
where: short stacking energy: -406.172
Base-Backbone interact. energy: -3.252
local terms energy: -435.277619
where:
bonds (distance) C4'-P energy: -78.275
bonds (distance) P-C4' energy: -81.400
flat angles C4'-P-C4' energy: -104.093
flat angles P-C4'-P energy: -69.322
tors. eta vs tors. theta energy: -102.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1296.966814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.966814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.966814 (E_RNA)
where:
Base-Base interactions energy: -861.436
where: short stacking energy: -385.737
Base-Backbone interact. energy: -1.080
local terms energy: -434.450972
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -85.385
flat angles C4'-P-C4' energy: -100.114
flat angles P-C4'-P energy: -61.050
tors. eta vs tors. theta energy: -100.671
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: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1098.579257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.579257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.579257 (E_RNA)
where:
Base-Base interactions energy: -714.034
where: short stacking energy: -320.739
Base-Backbone interact. energy: -0.308
local terms energy: -384.237103
where:
bonds (distance) C4'-P energy: -96.039
bonds (distance) P-C4' energy: -98.539
flat angles C4'-P-C4' energy: -69.924
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -865.309905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.309905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.309905 (E_RNA)
where:
Base-Base interactions energy: -512.950
where: short stacking energy: -222.829
Base-Backbone interact. energy: -1.281
local terms energy: -351.078629
where:
bonds (distance) C4'-P energy: -75.415
bonds (distance) P-C4' energy: -101.743
flat angles C4'-P-C4' energy: -75.811
flat angles P-C4'-P energy: -65.185
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1933.001866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.001866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.001866 (E_RNA)
where:
Base-Base interactions energy: -1326.701
where: short stacking energy: -555.291
Base-Backbone interact. energy: -4.208
local terms energy: -602.092863
where:
bonds (distance) C4'-P energy: -110.041
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -124.902
flat angles P-C4'-P energy: -84.198
tors. eta vs tors. theta energy: -165.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1816.170567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.170567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.170567 (E_RNA)
where:
Base-Base interactions energy: -1262.840
where: short stacking energy: -540.302
Base-Backbone interact. energy: -2.623
local terms energy: -550.707454
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -93.645
flat angles C4'-P-C4' energy: -120.532
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -162.937
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: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1777.512349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.512349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.512349 (E_RNA)
where:
Base-Base interactions energy: -1207.384
where: short stacking energy: -541.500
Base-Backbone interact. energy: -3.693
local terms energy: -566.435356
where:
bonds (distance) C4'-P energy: -105.767
bonds (distance) P-C4' energy: -97.029
flat angles C4'-P-C4' energy: -128.846
flat angles P-C4'-P energy: -80.597
tors. eta vs tors. theta energy: -154.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1715.422531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.422531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.422531 (E_RNA)
where:
Base-Base interactions energy: -1163.498
where: short stacking energy: -517.659
Base-Backbone interact. energy: -2.039
local terms energy: -549.885681
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -105.455
flat angles C4'-P-C4' energy: -119.568
flat angles P-C4'-P energy: -71.788
tors. eta vs tors. theta energy: -159.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1600.479626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.479626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.479626 (E_RNA)
where:
Base-Base interactions energy: -1089.886
where: short stacking energy: -454.839
Base-Backbone interact. energy: 0.221
local terms energy: -510.815000
where:
bonds (distance) C4'-P energy: -92.857
bonds (distance) P-C4' energy: -111.689
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -65.433
tors. eta vs tors. theta energy: -126.586
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: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1595.715440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.715440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.715440 (E_RNA)
where:
Base-Base interactions energy: -1090.042
where: short stacking energy: -472.229
Base-Backbone interact. energy: -0.938
local terms energy: -504.736147
where:
bonds (distance) C4'-P energy: -101.700
bonds (distance) P-C4' energy: -96.619
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -75.463
tors. eta vs tors. theta energy: -132.460
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1374.720665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.720665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.720665 (E_RNA)
where:
Base-Base interactions energy: -906.260
where: short stacking energy: -394.103
Base-Backbone interact. energy: -3.937
local terms energy: -464.523576
where:
bonds (distance) C4'-P energy: -98.024
bonds (distance) P-C4' energy: -95.894
flat angles C4'-P-C4' energy: -97.924
flat angles P-C4'-P energy: -69.222
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: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1312.619872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.619872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.619872 (E_RNA)
where:
Base-Base interactions energy: -898.710
where: short stacking energy: -383.578
Base-Backbone interact. energy: -2.040
local terms energy: -411.870456
where:
bonds (distance) C4'-P energy: -96.514
bonds (distance) P-C4' energy: -78.235
flat angles C4'-P-C4' energy: -89.927
flat angles P-C4'-P energy: -53.053
tors. eta vs tors. theta energy: -94.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1053.594094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.594094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.594094 (E_RNA)
where:
Base-Base interactions energy: -685.455
where: short stacking energy: -287.220
Base-Backbone interact. energy: -1.181
local terms energy: -366.958482
where:
bonds (distance) C4'-P energy: -77.413
bonds (distance) P-C4' energy: -87.455
flat angles C4'-P-C4' energy: -88.014
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -62.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -837.182227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.182227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.182227 (E_RNA)
where:
Base-Base interactions energy: -505.592
where: short stacking energy: -236.082
Base-Backbone interact. energy: -1.562
local terms energy: -330.028167
where:
bonds (distance) C4'-P energy: -87.142
bonds (distance) P-C4' energy: -86.851
flat angles C4'-P-C4' energy: -79.750
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: -31.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1943.034410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.034410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.034410 (E_RNA)
where:
Base-Base interactions energy: -1362.701
where: short stacking energy: -604.183
Base-Backbone interact. energy: -0.842
local terms energy: -579.491672
where:
bonds (distance) C4'-P energy: -96.454
bonds (distance) P-C4' energy: -104.066
flat angles C4'-P-C4' energy: -117.090
flat angles P-C4'-P energy: -82.639
tors. eta vs tors. theta energy: -179.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1787.860250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.860250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.860250 (E_RNA)
where:
Base-Base interactions energy: -1231.629
where: short stacking energy: -540.207
Base-Backbone interact. energy: -1.788
local terms energy: -554.443946
where:
bonds (distance) C4'-P energy: -95.581
bonds (distance) P-C4' energy: -95.363
flat angles C4'-P-C4' energy: -118.931
flat angles P-C4'-P energy: -83.273
tors. eta vs tors. theta energy: -161.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1755.022552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.022552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.022552 (E_RNA)
where:
Base-Base interactions energy: -1171.046
where: short stacking energy: -527.303
Base-Backbone interact. energy: -3.101
local terms energy: -580.876240
where:
bonds (distance) C4'-P energy: -111.996
bonds (distance) P-C4' energy: -113.887
flat angles C4'-P-C4' energy: -126.396
flat angles P-C4'-P energy: -73.112
tors. eta vs tors. theta energy: -155.486
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: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1689.727314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.727314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.727314 (E_RNA)
where:
Base-Base interactions energy: -1137.204
where: short stacking energy: -502.437
Base-Backbone interact. energy: -2.639
local terms energy: -549.883777
where:
bonds (distance) C4'-P energy: -96.980
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -112.325
flat angles P-C4'-P energy: -81.409
tors. eta vs tors. theta energy: -164.793
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1640.606770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.606770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.606770 (E_RNA)
where:
Base-Base interactions energy: -1127.625
where: short stacking energy: -482.676
Base-Backbone interact. energy: 1.433
local terms energy: -514.414753
where:
bonds (distance) C4'-P energy: -101.535
bonds (distance) P-C4' energy: -96.973
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -63.767
tors. eta vs tors. theta energy: -139.658
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: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1541.563268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.563268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.563268 (E_RNA)
where:
Base-Base interactions energy: -1066.920
where: short stacking energy: -445.133
Base-Backbone interact. energy: -2.585
local terms energy: -472.058287
where:
bonds (distance) C4'-P energy: -90.302
bonds (distance) P-C4' energy: -102.290
flat angles C4'-P-C4' energy: -102.574
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -116.873
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: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1334.897128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.897128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.897128 (E_RNA)
where:
Base-Base interactions energy: -900.880
where: short stacking energy: -420.187
Base-Backbone interact. energy: -1.228
local terms energy: -432.789160
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -70.901
flat angles C4'-P-C4' energy: -108.034
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -108.904
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: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1317.626748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.626748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.626748 (E_RNA)
where:
Base-Base interactions energy: -873.584
where: short stacking energy: -347.034
Base-Backbone interact. energy: 0.593
local terms energy: -444.636670
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -92.309
flat angles C4'-P-C4' energy: -102.967
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -84.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1039.546540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.546540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.546540 (E_RNA)
where:
Base-Base interactions energy: -668.722
where: short stacking energy: -310.333
Base-Backbone interact. energy: -1.798
local terms energy: -369.025658
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -84.466
flat angles C4'-P-C4' energy: -84.154
flat angles P-C4'-P energy: -66.611
tors. eta vs tors. theta energy: -67.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -741.192627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.192627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.192627 (E_RNA)
where:
Base-Base interactions energy: -405.268
where: short stacking energy: -207.145
Base-Backbone interact. energy: 1.531
local terms energy: -337.455538
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -101.127
flat angles C4'-P-C4' energy: -78.410
flat angles P-C4'-P energy: -57.097
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1958.226506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.226506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.226506 (E_RNA)
where:
Base-Base interactions energy: -1368.103
where: short stacking energy: -573.349
Base-Backbone interact. energy: -3.765
local terms energy: -586.358747
where:
bonds (distance) C4'-P energy: -97.265
bonds (distance) P-C4' energy: -111.560
flat angles C4'-P-C4' energy: -117.951
flat angles P-C4'-P energy: -92.063
tors. eta vs tors. theta energy: -167.520
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1801.649595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.649595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.649595 (E_RNA)
where:
Base-Base interactions energy: -1213.164
where: short stacking energy: -533.990
Base-Backbone interact. energy: -2.972
local terms energy: -585.513463
where:
bonds (distance) C4'-P energy: -114.225
bonds (distance) P-C4' energy: -115.316
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -80.897
tors. eta vs tors. theta energy: -157.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1787.229552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.229552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.229552 (E_RNA)
where:
Base-Base interactions energy: -1221.936
where: short stacking energy: -539.485
Base-Backbone interact. energy: -0.529
local terms energy: -564.764764
where:
bonds (distance) C4'-P energy: -108.936
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -122.756
flat angles P-C4'-P energy: -81.703
tors. eta vs tors. theta energy: -146.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1669.464347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.464347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.464347 (E_RNA)
where:
Base-Base interactions energy: -1125.321
where: short stacking energy: -480.722
Base-Backbone interact. energy: -2.325
local terms energy: -541.818049
where:
bonds (distance) C4'-P energy: -106.911
bonds (distance) P-C4' energy: -104.212
flat angles C4'-P-C4' energy: -114.860
flat angles P-C4'-P energy: -64.832
tors. eta vs tors. theta energy: -151.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1618.511482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.511482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.511482 (E_RNA)
where:
Base-Base interactions energy: -1082.661
where: short stacking energy: -476.227
Base-Backbone interact. energy: 0.461
local terms energy: -536.311142
where:
bonds (distance) C4'-P energy: -102.616
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -118.827
flat angles P-C4'-P energy: -75.316
tors. eta vs tors. theta energy: -143.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1589.620821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.620821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.620821 (E_RNA)
where:
Base-Base interactions energy: -1068.874
where: short stacking energy: -452.439
Base-Backbone interact. energy: -1.112
local terms energy: -519.634719
where:
bonds (distance) C4'-P energy: -93.070
bonds (distance) P-C4' energy: -109.257
flat angles C4'-P-C4' energy: -100.836
flat angles P-C4'-P energy: -73.741
tors. eta vs tors. theta energy: -142.731
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1342.209594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.209594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.209594 (E_RNA)
where:
Base-Base interactions energy: -879.695
where: short stacking energy: -390.658
Base-Backbone interact. energy: -0.829
local terms energy: -461.685012
where:
bonds (distance) C4'-P energy: -83.883
bonds (distance) P-C4' energy: -107.117
flat angles C4'-P-C4' energy: -107.727
flat angles P-C4'-P energy: -74.135
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: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1287.774146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.774146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.774146 (E_RNA)
where:
Base-Base interactions energy: -850.481
where: short stacking energy: -380.918
Base-Backbone interact. energy: -3.387
local terms energy: -433.905857
where:
bonds (distance) C4'-P energy: -81.742
bonds (distance) P-C4' energy: -92.709
flat angles C4'-P-C4' energy: -93.576
flat angles P-C4'-P energy: -71.894
tors. eta vs tors. theta energy: -93.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -972.637387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.637387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.637387 (E_RNA)
where:
Base-Base interactions energy: -579.783
where: short stacking energy: -280.467
Base-Backbone interact. energy: 0.406
local terms energy: -393.260510
where:
bonds (distance) C4'-P energy: -95.285
bonds (distance) P-C4' energy: -95.620
flat angles C4'-P-C4' energy: -94.908
flat angles P-C4'-P energy: -71.986
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -664.169353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.169353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.169353 (E_RNA)
where:
Base-Base interactions energy: -336.998
where: short stacking energy: -195.469
Base-Backbone interact. energy: -0.982
local terms energy: -326.189857
where:
bonds (distance) C4'-P energy: -99.030
bonds (distance) P-C4' energy: -97.385
flat angles C4'-P-C4' energy: -85.442
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1921.464312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.464312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.464312 (E_RNA)
where:
Base-Base interactions energy: -1329.973
where: short stacking energy: -553.370
Base-Backbone interact. energy: -2.998
local terms energy: -588.493695
where:
bonds (distance) C4'-P energy: -99.079
bonds (distance) P-C4' energy: -110.477
flat angles C4'-P-C4' energy: -121.871
flat angles P-C4'-P energy: -92.095
tors. eta vs tors. theta energy: -164.972
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1835.427248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.427248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.427248 (E_RNA)
where:
Base-Base interactions energy: -1249.386
where: short stacking energy: -571.578
Base-Backbone interact. energy: -5.079
local terms energy: -580.961723
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -109.639
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -79.822
tors. eta vs tors. theta energy: -167.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1752.132808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.132808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.132808 (E_RNA)
where:
Base-Base interactions energy: -1203.544
where: short stacking energy: -530.091
Base-Backbone interact. energy: 6.379
local terms energy: -554.967456
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -97.648
flat angles C4'-P-C4' energy: -109.325
flat angles P-C4'-P energy: -84.470
tors. eta vs tors. theta energy: -154.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1687.716670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.716670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.716670 (E_RNA)
where:
Base-Base interactions energy: -1161.492
where: short stacking energy: -500.175
Base-Backbone interact. energy: -3.072
local terms energy: -523.151904
where:
bonds (distance) C4'-P energy: -102.584
bonds (distance) P-C4' energy: -94.353
flat angles C4'-P-C4' energy: -97.249
flat angles P-C4'-P energy: -79.036
tors. eta vs tors. theta energy: -149.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1594.972360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.972360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.972360 (E_RNA)
where:
Base-Base interactions energy: -1074.375
where: short stacking energy: -442.890
Base-Backbone interact. energy: -0.916
local terms energy: -519.680593
where:
bonds (distance) C4'-P energy: -99.017
bonds (distance) P-C4' energy: -106.827
flat angles C4'-P-C4' energy: -107.717
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -129.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1544.372685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.372685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.372685 (E_RNA)
where:
Base-Base interactions energy: -1042.296
where: short stacking energy: -460.711
Base-Backbone interact. energy: 1.983
local terms energy: -504.059273
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -103.964
flat angles C4'-P-C4' energy: -97.692
flat angles P-C4'-P energy: -75.796
tors. eta vs tors. theta energy: -131.516
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1373.230002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.230002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.230002 (E_RNA)
where:
Base-Base interactions energy: -923.773
where: short stacking energy: -398.272
Base-Backbone interact. energy: 0.496
local terms energy: -449.952359
where:
bonds (distance) C4'-P energy: -81.668
bonds (distance) P-C4' energy: -92.874
flat angles C4'-P-C4' energy: -103.373
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -101.936
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: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1290.298475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.298475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.298475 (E_RNA)
where:
Base-Base interactions energy: -863.542
where: short stacking energy: -374.235
Base-Backbone interact. energy: -1.051
local terms energy: -425.705775
where:
bonds (distance) C4'-P energy: -91.514
bonds (distance) P-C4' energy: -88.651
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -70.614
tors. eta vs tors. theta energy: -82.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -888.012819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.012819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.012819 (E_RNA)
where:
Base-Base interactions energy: -539.785
where: short stacking energy: -261.155
Base-Backbone interact. energy: -3.691
local terms energy: -344.537034
where:
bonds (distance) C4'-P energy: -80.823
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -80.684
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -34.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -659.926268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.926268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.926268 (E_RNA)
where:
Base-Base interactions energy: -353.749
where: short stacking energy: -176.059
Base-Backbone interact. energy: 0.104
local terms energy: -306.280945
where:
bonds (distance) C4'-P energy: -91.964
bonds (distance) P-C4' energy: -81.978
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -64.836
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1921.183673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.183673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.183673 (E_RNA)
where:
Base-Base interactions energy: -1320.207
where: short stacking energy: -554.545
Base-Backbone interact. energy: -2.561
local terms energy: -598.416077
where:
bonds (distance) C4'-P energy: -107.166
bonds (distance) P-C4' energy: -108.919
flat angles C4'-P-C4' energy: -137.335
flat angles P-C4'-P energy: -84.497
tors. eta vs tors. theta energy: -160.499
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: 40
Temperature: 0.950000
Total energy: -1788.841037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.841037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.841037 (E_RNA)
where:
Base-Base interactions energy: -1212.430
where: short stacking energy: -540.618
Base-Backbone interact. energy: -2.381
local terms energy: -574.030031
where:
bonds (distance) C4'-P energy: -100.993
bonds (distance) P-C4' energy: -111.911
flat angles C4'-P-C4' energy: -117.621
flat angles P-C4'-P energy: -83.665
tors. eta vs tors. theta energy: -159.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1747.636838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.636838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.636838 (E_RNA)
where:
Base-Base interactions energy: -1164.997
where: short stacking energy: -515.164
Base-Backbone interact. energy: -1.970
local terms energy: -580.670403
where:
bonds (distance) C4'-P energy: -103.834
bonds (distance) P-C4' energy: -111.432
flat angles C4'-P-C4' energy: -128.266
flat angles P-C4'-P energy: -76.455
tors. eta vs tors. theta energy: -160.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1664.977457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.977457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.977457 (E_RNA)
where:
Base-Base interactions energy: -1133.702
where: short stacking energy: -520.090
Base-Backbone interact. energy: 0.286
local terms energy: -531.561796
where:
bonds (distance) C4'-P energy: -106.773
bonds (distance) P-C4' energy: -105.084
flat angles C4'-P-C4' energy: -109.798
flat angles P-C4'-P energy: -64.378
tors. eta vs tors. theta energy: -145.529
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: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1634.700567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.700567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.700567 (E_RNA)
where:
Base-Base interactions energy: -1108.039
where: short stacking energy: -482.017
Base-Backbone interact. energy: -1.502
local terms energy: -525.159526
where:
bonds (distance) C4'-P energy: -111.652
bonds (distance) P-C4' energy: -93.190
flat angles C4'-P-C4' energy: -110.432
flat angles P-C4'-P energy: -64.633
tors. eta vs tors. theta energy: -145.253
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1532.841766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.841766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.841766 (E_RNA)
where:
Base-Base interactions energy: -1076.298
where: short stacking energy: -456.690
Base-Backbone interact. energy: 3.836
local terms energy: -460.380493
where:
bonds (distance) C4'-P energy: -97.705
bonds (distance) P-C4' energy: -82.772
flat angles C4'-P-C4' energy: -96.196
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -128.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1352.806696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.806696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.806696 (E_RNA)
where:
Base-Base interactions energy: -915.111
where: short stacking energy: -388.083
Base-Backbone interact. energy: 1.317
local terms energy: -439.012439
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -54.974
tors. eta vs tors. theta energy: -96.820
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1290.621162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.621162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.621162 (E_RNA)
where:
Base-Base interactions energy: -843.431
where: short stacking energy: -361.906
Base-Backbone interact. energy: -1.161
local terms energy: -446.029072
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -92.529
flat angles C4'-P-C4' energy: -101.214
flat angles P-C4'-P energy: -65.625
tors. eta vs tors. theta energy: -99.113
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: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -858.587113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.587113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.587113 (E_RNA)
where:
Base-Base interactions energy: -503.986
where: short stacking energy: -247.798
Base-Backbone interact. energy: 9.624
local terms energy: -364.225645
where:
bonds (distance) C4'-P energy: -87.005
bonds (distance) P-C4' energy: -99.153
flat angles C4'-P-C4' energy: -92.262
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -33.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -611.875160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.875160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.875160 (E_RNA)
where:
Base-Base interactions energy: -294.276
where: short stacking energy: -158.723
Base-Backbone interact. energy: -0.119
local terms energy: -317.480258
where:
bonds (distance) C4'-P energy: -85.594
bonds (distance) P-C4' energy: -89.008
flat angles C4'-P-C4' energy: -85.495
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1889.120675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.120675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.120675 (E_RNA)
where:
Base-Base interactions energy: -1307.573
where: short stacking energy: -565.272
Base-Backbone interact. energy: -5.719
local terms energy: -575.828757
where:
bonds (distance) C4'-P energy: -83.800
bonds (distance) P-C4' energy: -111.658
flat angles C4'-P-C4' energy: -119.049
flat angles P-C4'-P energy: -96.690
tors. eta vs tors. theta energy: -164.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1810.527479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.527479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.527479 (E_RNA)
where:
Base-Base interactions energy: -1225.023
where: short stacking energy: -535.111
Base-Backbone interact. energy: -2.250
local terms energy: -583.254566
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -102.812
flat angles C4'-P-C4' energy: -124.445
flat angles P-C4'-P energy: -87.225
tors. eta vs tors. theta energy: -165.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1779.263173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.263173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.263173 (E_RNA)
where:
Base-Base interactions energy: -1219.351
where: short stacking energy: -536.189
Base-Backbone interact. energy: -1.846
local terms energy: -558.066301
where:
bonds (distance) C4'-P energy: -92.488
bonds (distance) P-C4' energy: -95.046
flat angles C4'-P-C4' energy: -126.331
flat angles P-C4'-P energy: -82.698
tors. eta vs tors. theta energy: -161.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1668.519169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.519169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.519169 (E_RNA)
where:
Base-Base interactions energy: -1144.404
where: short stacking energy: -492.757
Base-Backbone interact. energy: -0.749
local terms energy: -523.366500
where:
bonds (distance) C4'-P energy: -103.061
bonds (distance) P-C4' energy: -96.114
flat angles C4'-P-C4' energy: -102.890
flat angles P-C4'-P energy: -77.813
tors. eta vs tors. theta energy: -143.489
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: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1642.521468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.521468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.521468 (E_RNA)
where:
Base-Base interactions energy: -1110.932
where: short stacking energy: -508.494
Base-Backbone interact. energy: -0.410
local terms energy: -531.180130
where:
bonds (distance) C4'-P energy: -97.263
bonds (distance) P-C4' energy: -102.046
flat angles C4'-P-C4' energy: -118.280
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -144.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1579.276465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.276465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.276465 (E_RNA)
where:
Base-Base interactions energy: -1072.364
where: short stacking energy: -445.462
Base-Backbone interact. energy: -2.554
local terms energy: -504.357950
where:
bonds (distance) C4'-P energy: -93.368
bonds (distance) P-C4' energy: -105.047
flat angles C4'-P-C4' energy: -101.247
flat angles P-C4'-P energy: -61.927
tors. eta vs tors. theta energy: -142.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1348.548480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.548480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.548480 (E_RNA)
where:
Base-Base interactions energy: -890.383
where: short stacking energy: -375.366
Base-Backbone interact. energy: -1.408
local terms energy: -456.757846
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -111.032
flat angles C4'-P-C4' energy: -101.764
flat angles P-C4'-P energy: -71.276
tors. eta vs tors. theta energy: -85.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1292.254383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.254383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.254383 (E_RNA)
where:
Base-Base interactions energy: -861.190
where: short stacking energy: -355.011
Base-Backbone interact. energy: -0.906
local terms energy: -430.158266
where:
bonds (distance) C4'-P energy: -90.554
bonds (distance) P-C4' energy: -96.039
flat angles C4'-P-C4' energy: -88.411
flat angles P-C4'-P energy: -67.546
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -807.006826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.006826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.006826 (E_RNA)
where:
Base-Base interactions energy: -491.188
where: short stacking energy: -229.963
Base-Backbone interact. energy: 2.030
local terms energy: -317.848760
where:
bonds (distance) C4'-P energy: -70.522
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -49.311
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -670.018914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.018914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.018914 (E_RNA)
where:
Base-Base interactions energy: -377.318
where: short stacking energy: -214.569
Base-Backbone interact. energy: -2.404
local terms energy: -290.296921
where:
bonds (distance) C4'-P energy: -74.790
bonds (distance) P-C4' energy: -69.769
flat angles C4'-P-C4' energy: -75.927
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1889.962220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.962220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.962220 (E_RNA)
where:
Base-Base interactions energy: -1315.296
where: short stacking energy: -554.842
Base-Backbone interact. energy: -3.640
local terms energy: -571.025916
where:
bonds (distance) C4'-P energy: -97.526
bonds (distance) P-C4' energy: -106.562
flat angles C4'-P-C4' energy: -134.565
flat angles P-C4'-P energy: -74.574
tors. eta vs tors. theta energy: -157.800
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: 42
Temperature: 0.950000
Total energy: -1793.199175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.199175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.199175 (E_RNA)
where:
Base-Base interactions energy: -1224.894
where: short stacking energy: -536.929
Base-Backbone interact. energy: -0.601
local terms energy: -567.703985
where:
bonds (distance) C4'-P energy: -93.217
bonds (distance) P-C4' energy: -112.805
flat angles C4'-P-C4' energy: -116.185
flat angles P-C4'-P energy: -79.338
tors. eta vs tors. theta energy: -166.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1814.977504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.977504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.977504 (E_RNA)
where:
Base-Base interactions energy: -1233.618
where: short stacking energy: -527.931
Base-Backbone interact. energy: -2.924
local terms energy: -578.435621
where:
bonds (distance) C4'-P energy: -102.659
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -129.400
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -162.894
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: 42
Temperature: 1.050000
Total energy: -1667.443684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.443684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.443684 (E_RNA)
where:
Base-Base interactions energy: -1130.335
where: short stacking energy: -500.788
Base-Backbone interact. energy: -1.164
local terms energy: -535.944828
where:
bonds (distance) C4'-P energy: -94.548
bonds (distance) P-C4' energy: -106.954
flat angles C4'-P-C4' energy: -101.555
flat angles P-C4'-P energy: -87.160
tors. eta vs tors. theta energy: -145.728
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: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1656.478512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.478512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.478512 (E_RNA)
where:
Base-Base interactions energy: -1130.672
where: short stacking energy: -489.308
Base-Backbone interact. energy: 0.535
local terms energy: -526.340786
where:
bonds (distance) C4'-P energy: -94.885
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -76.275
tors. eta vs tors. theta energy: -147.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1569.961752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.961752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.961752 (E_RNA)
where:
Base-Base interactions energy: -1085.381
where: short stacking energy: -446.791
Base-Backbone interact. energy: -3.464
local terms energy: -481.116478
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -107.573
flat angles C4'-P-C4' energy: -106.193
flat angles P-C4'-P energy: -60.094
tors. eta vs tors. theta energy: -129.424
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: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1371.313728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.313728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.313728 (E_RNA)
where:
Base-Base interactions energy: -946.365
where: short stacking energy: -413.289
Base-Backbone interact. energy: 0.215
local terms energy: -425.164503
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -85.127
flat angles C4'-P-C4' energy: -98.411
flat angles P-C4'-P energy: -62.160
tors. eta vs tors. theta energy: -101.912
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1286.505421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.505421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.505421 (E_RNA)
where:
Base-Base interactions energy: -828.501
where: short stacking energy: -370.615
Base-Backbone interact. energy: 6.199
local terms energy: -464.203792
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -111.021
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -76.336
tors. eta vs tors. theta energy: -89.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -856.527457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.527457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.527457 (E_RNA)
where:
Base-Base interactions energy: -492.258
where: short stacking energy: -245.231
Base-Backbone interact. energy: -1.383
local terms energy: -362.886527
where:
bonds (distance) C4'-P energy: -86.452
bonds (distance) P-C4' energy: -87.563
flat angles C4'-P-C4' energy: -96.367
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -637.977781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.977781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.977781 (E_RNA)
where:
Base-Base interactions energy: -325.948
where: short stacking energy: -175.290
Base-Backbone interact. energy: -2.834
local terms energy: -309.196090
where:
bonds (distance) C4'-P energy: -91.686
bonds (distance) P-C4' energy: -95.524
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -33.273
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: 43
Temperature: 0.900000
Total energy: -1878.933226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.933226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.933226 (E_RNA)
where:
Base-Base interactions energy: -1292.489
where: short stacking energy: -561.458
Base-Backbone interact. energy: -2.827
local terms energy: -583.617039
where:
bonds (distance) C4'-P energy: -103.430
bonds (distance) P-C4' energy: -114.848
flat angles C4'-P-C4' energy: -115.276
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -161.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1802.090356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.090356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.090356 (E_RNA)
where:
Base-Base interactions energy: -1218.072
where: short stacking energy: -538.689
Base-Backbone interact. energy: -1.769
local terms energy: -582.249971
where:
bonds (distance) C4'-P energy: -111.730
bonds (distance) P-C4' energy: -102.827
flat angles C4'-P-C4' energy: -113.313
flat angles P-C4'-P energy: -91.991
tors. eta vs tors. theta energy: -162.389
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: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1810.634554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.634554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.634554 (E_RNA)
where:
Base-Base interactions energy: -1213.720
where: short stacking energy: -561.794
Base-Backbone interact. energy: -2.790
local terms energy: -594.124819
where:
bonds (distance) C4'-P energy: -113.101
bonds (distance) P-C4' energy: -108.613
flat angles C4'-P-C4' energy: -123.065
flat angles P-C4'-P energy: -84.528
tors. eta vs tors. theta energy: -164.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1673.679474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.679474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.679474 (E_RNA)
where:
Base-Base interactions energy: -1154.582
where: short stacking energy: -486.103
Base-Backbone interact. energy: -1.091
local terms energy: -518.006396
where:
bonds (distance) C4'-P energy: -107.634
bonds (distance) P-C4' energy: -102.907
flat angles C4'-P-C4' energy: -91.462
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -155.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1624.451602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.451602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.451602 (E_RNA)
where:
Base-Base interactions energy: -1099.077
where: short stacking energy: -468.615
Base-Backbone interact. energy: -1.480
local terms energy: -523.894421
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -108.714
flat angles P-C4'-P energy: -80.499
tors. eta vs tors. theta energy: -143.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1556.686197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.686197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.686197 (E_RNA)
where:
Base-Base interactions energy: -1044.913
where: short stacking energy: -448.057
Base-Backbone interact. energy: -3.079
local terms energy: -508.694149
where:
bonds (distance) C4'-P energy: -91.561
bonds (distance) P-C4' energy: -104.986
flat angles C4'-P-C4' energy: -104.641
flat angles P-C4'-P energy: -73.508
tors. eta vs tors. theta energy: -133.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1355.739592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.739592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.739592 (E_RNA)
where:
Base-Base interactions energy: -901.872
where: short stacking energy: -378.640
Base-Backbone interact. energy: -1.139
local terms energy: -452.728777
where:
bonds (distance) C4'-P energy: -80.526
bonds (distance) P-C4' energy: -98.424
flat angles C4'-P-C4' energy: -97.641
flat angles P-C4'-P energy: -70.876
tors. eta vs tors. theta energy: -105.262
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: 43
Temperature: 1.250000
Total energy: -1296.383561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.383561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.383561 (E_RNA)
where:
Base-Base interactions energy: -849.519
where: short stacking energy: -374.387
Base-Backbone interact. energy: -2.112
local terms energy: -444.752804
where:
bonds (distance) C4'-P energy: -94.329
bonds (distance) P-C4' energy: -78.445
flat angles C4'-P-C4' energy: -95.946
flat angles P-C4'-P energy: -72.717
tors. eta vs tors. theta energy: -103.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -835.611771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.611771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.611771 (E_RNA)
where:
Base-Base interactions energy: -506.602
where: short stacking energy: -252.489
Base-Backbone interact. energy: 3.639
local terms energy: -332.648540
where:
bonds (distance) C4'-P energy: -59.204
bonds (distance) P-C4' energy: -97.837
flat angles C4'-P-C4' energy: -85.850
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -33.429
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: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -672.563793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.563793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.563793 (E_RNA)
where:
Base-Base interactions energy: -357.236
where: short stacking energy: -204.778
Base-Backbone interact. energy: -1.485
local terms energy: -313.842796
where:
bonds (distance) C4'-P energy: -83.308
bonds (distance) P-C4' energy: -79.419
flat angles C4'-P-C4' energy: -89.011
flat angles P-C4'-P energy: -51.328
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1913.527587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.527587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.527587 (E_RNA)
where:
Base-Base interactions energy: -1339.383
where: short stacking energy: -583.149
Base-Backbone interact. energy: -1.448
local terms energy: -572.696084
where:
bonds (distance) C4'-P energy: -108.990
bonds (distance) P-C4' energy: -96.955
flat angles C4'-P-C4' energy: -116.198
flat angles P-C4'-P energy: -81.661
tors. eta vs tors. theta energy: -168.891
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: 44
Temperature: 0.950000
Total energy: -1807.833242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.833242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.833242 (E_RNA)
where:
Base-Base interactions energy: -1216.861
where: short stacking energy: -563.312
Base-Backbone interact. energy: -1.592
local terms energy: -589.380692
where:
bonds (distance) C4'-P energy: -108.164
bonds (distance) P-C4' energy: -102.697
flat angles C4'-P-C4' energy: -124.314
flat angles P-C4'-P energy: -91.476
tors. eta vs tors. theta energy: -162.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1774.073838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.073838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.073838 (E_RNA)
where:
Base-Base interactions energy: -1205.186
where: short stacking energy: -529.509
Base-Backbone interact. energy: -6.184
local terms energy: -562.704064
where:
bonds (distance) C4'-P energy: -111.193
bonds (distance) P-C4' energy: -107.758
flat angles C4'-P-C4' energy: -119.714
flat angles P-C4'-P energy: -73.001
tors. eta vs tors. theta energy: -151.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1658.134804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.134804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.134804 (E_RNA)
where:
Base-Base interactions energy: -1124.837
where: short stacking energy: -505.574
Base-Backbone interact. energy: -1.891
local terms energy: -531.405879
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -96.334
flat angles C4'-P-C4' energy: -118.781
flat angles P-C4'-P energy: -77.463
tors. eta vs tors. theta energy: -147.109
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: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1623.373103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.373103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.373103 (E_RNA)
where:
Base-Base interactions energy: -1113.288
where: short stacking energy: -478.879
Base-Backbone interact. energy: -2.062
local terms energy: -508.022458
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -116.456
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -140.246
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: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1555.832199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.832199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.832199 (E_RNA)
where:
Base-Base interactions energy: -1081.437
where: short stacking energy: -481.068
Base-Backbone interact. energy: -1.068
local terms energy: -473.326952
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -77.045
flat angles C4'-P-C4' energy: -107.777
flat angles P-C4'-P energy: -73.046
tors. eta vs tors. theta energy: -128.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1369.724289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.724289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.724289 (E_RNA)
where:
Base-Base interactions energy: -909.286
where: short stacking energy: -406.576
Base-Backbone interact. energy: 1.000
local terms energy: -461.438560
where:
bonds (distance) C4'-P energy: -90.086
bonds (distance) P-C4' energy: -102.742
flat angles C4'-P-C4' energy: -97.605
flat angles P-C4'-P energy: -67.957
tors. eta vs tors. theta energy: -103.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1240.703694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.703694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.703694 (E_RNA)
where:
Base-Base interactions energy: -830.574
where: short stacking energy: -341.798
Base-Backbone interact. energy: 2.523
local terms energy: -412.652977
where:
bonds (distance) C4'-P energy: -87.664
bonds (distance) P-C4' energy: -101.160
flat angles C4'-P-C4' energy: -93.768
flat angles P-C4'-P energy: -63.059
tors. eta vs tors. theta energy: -67.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -905.324957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.324957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.324957 (E_RNA)
where:
Base-Base interactions energy: -571.393
where: short stacking energy: -267.600
Base-Backbone interact. energy: 1.057
local terms energy: -334.989506
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -94.621
flat angles C4'-P-C4' energy: -77.881
flat angles P-C4'-P energy: -43.950
tors. eta vs tors. theta energy: -43.798
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -691.779794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.779794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.779794 (E_RNA)
where:
Base-Base interactions energy: -356.077
where: short stacking energy: -176.863
Base-Backbone interact. energy: -3.209
local terms energy: -332.493951
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -91.176
flat angles C4'-P-C4' energy: -83.544
flat angles P-C4'-P energy: -60.952
tors. eta vs tors. theta energy: -23.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1967.991253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.991253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.991253 (E_RNA)
where:
Base-Base interactions energy: -1364.747
where: short stacking energy: -578.259
Base-Backbone interact. energy: -2.591
local terms energy: -600.653784
where:
bonds (distance) C4'-P energy: -109.672
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -124.296
flat angles P-C4'-P energy: -83.320
tors. eta vs tors. theta energy: -175.597
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: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1798.152789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.152789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.152789 (E_RNA)
where:
Base-Base interactions energy: -1237.189
where: short stacking energy: -551.688
Base-Backbone interact. energy: -2.044
local terms energy: -558.919690
where:
bonds (distance) C4'-P energy: -97.120
bonds (distance) P-C4' energy: -103.798
flat angles C4'-P-C4' energy: -120.536
flat angles P-C4'-P energy: -75.119
tors. eta vs tors. theta energy: -162.347
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: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1770.436795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.436795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.436795 (E_RNA)
where:
Base-Base interactions energy: -1208.955
where: short stacking energy: -534.184
Base-Backbone interact. energy: -1.722
local terms energy: -559.760627
where:
bonds (distance) C4'-P energy: -104.387
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -114.225
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -165.130
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1682.026084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.026084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.026084 (E_RNA)
where:
Base-Base interactions energy: -1142.622
where: short stacking energy: -516.546
Base-Backbone interact. energy: -0.925
local terms energy: -538.479689
where:
bonds (distance) C4'-P energy: -80.296
bonds (distance) P-C4' energy: -102.133
flat angles C4'-P-C4' energy: -123.280
flat angles P-C4'-P energy: -77.038
tors. eta vs tors. theta energy: -155.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1610.975731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.975731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.975731 (E_RNA)
where:
Base-Base interactions energy: -1101.148
where: short stacking energy: -485.739
Base-Backbone interact. energy: 1.448
local terms energy: -511.275579
where:
bonds (distance) C4'-P energy: -87.178
bonds (distance) P-C4' energy: -106.533
flat angles C4'-P-C4' energy: -99.228
flat angles P-C4'-P energy: -75.605
tors. eta vs tors. theta energy: -142.732
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: 45
Temperature: 1.150000
Total energy: -1563.256202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.256202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.256202 (E_RNA)
where:
Base-Base interactions energy: -1038.032
where: short stacking energy: -445.895
Base-Backbone interact. energy: -0.880
local terms energy: -524.344458
where:
bonds (distance) C4'-P energy: -113.124
bonds (distance) P-C4' energy: -109.438
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -66.594
tors. eta vs tors. theta energy: -127.161
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1365.835611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.835611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.835611 (E_RNA)
where:
Base-Base interactions energy: -927.495
where: short stacking energy: -422.082
Base-Backbone interact. energy: 1.014
local terms energy: -439.354690
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -104.917
flat angles C4'-P-C4' energy: -91.047
flat angles P-C4'-P energy: -49.482
tors. eta vs tors. theta energy: -102.364
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1243.553707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.553707 (E_RNA)
where:
Base-Base interactions energy: -823.627
where: short stacking energy: -374.532
Base-Backbone interact. energy: -3.460
local terms energy: -416.466113
where:
bonds (distance) C4'-P energy: -75.203
bonds (distance) P-C4' energy: -99.916
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -55.903
tors. eta vs tors. theta energy: -92.287
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: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -850.241875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.241875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.241875 (E_RNA)
where:
Base-Base interactions energy: -502.167
where: short stacking energy: -239.525
Base-Backbone interact. energy: -3.088
local terms energy: -344.986779
where:
bonds (distance) C4'-P energy: -97.137
bonds (distance) P-C4' energy: -98.459
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -38.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -658.887738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.887738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.887738 (E_RNA)
where:
Base-Base interactions energy: -376.228
where: short stacking energy: -188.988
Base-Backbone interact. energy: -1.920
local terms energy: -280.739204
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1931.639448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.639448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.639448 (E_RNA)
where:
Base-Base interactions energy: -1349.571
where: short stacking energy: -562.356
Base-Backbone interact. energy: -2.018
local terms energy: -580.049871
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -116.686
flat angles P-C4'-P energy: -83.520
tors. eta vs tors. theta energy: -168.236
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: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1771.721601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.721601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.721601 (E_RNA)
where:
Base-Base interactions energy: -1180.388
where: short stacking energy: -519.361
Base-Backbone interact. energy: -2.602
local terms energy: -588.731636
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -113.367
flat angles C4'-P-C4' energy: -122.978
flat angles P-C4'-P energy: -86.492
tors. eta vs tors. theta energy: -154.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1748.533589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.533589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.533589 (E_RNA)
where:
Base-Base interactions energy: -1183.951
where: short stacking energy: -530.381
Base-Backbone interact. energy: -2.514
local terms energy: -562.068786
where:
bonds (distance) C4'-P energy: -108.696
bonds (distance) P-C4' energy: -100.779
flat angles C4'-P-C4' energy: -126.807
flat angles P-C4'-P energy: -73.413
tors. eta vs tors. theta energy: -152.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1702.702582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.702582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.702582 (E_RNA)
where:
Base-Base interactions energy: -1159.320
where: short stacking energy: -509.831
Base-Backbone interact. energy: 0.382
local terms energy: -543.764559
where:
bonds (distance) C4'-P energy: -92.057
bonds (distance) P-C4' energy: -96.808
flat angles C4'-P-C4' energy: -118.022
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -158.325
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: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1595.752030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.752030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.752030 (E_RNA)
where:
Base-Base interactions energy: -1104.913
where: short stacking energy: -468.953
Base-Backbone interact. energy: -1.621
local terms energy: -489.218000
where:
bonds (distance) C4'-P energy: -79.440
bonds (distance) P-C4' energy: -84.038
flat angles C4'-P-C4' energy: -112.048
flat angles P-C4'-P energy: -75.475
tors. eta vs tors. theta energy: -138.217
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: 46
Temperature: 1.150000
Total energy: -1525.628527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.628527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.628527 (E_RNA)
where:
Base-Base interactions energy: -1032.716
where: short stacking energy: -450.977
Base-Backbone interact. energy: 7.245
local terms energy: -500.157678
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -106.058
flat angles C4'-P-C4' energy: -107.103
flat angles P-C4'-P energy: -75.475
tors. eta vs tors. theta energy: -126.827
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: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1397.924159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.924159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.924159 (E_RNA)
where:
Base-Base interactions energy: -931.563
where: short stacking energy: -412.923
Base-Backbone interact. energy: 2.026
local terms energy: -468.387459
where:
bonds (distance) C4'-P energy: -81.232
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -106.856
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -113.301
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: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1285.050459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.050459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.050459 (E_RNA)
where:
Base-Base interactions energy: -872.320
where: short stacking energy: -375.683
Base-Backbone interact. energy: 1.123
local terms energy: -413.853606
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -88.868
flat angles P-C4'-P energy: -62.624
tors. eta vs tors. theta energy: -86.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -823.285909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.285909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.285909 (E_RNA)
where:
Base-Base interactions energy: -474.926
where: short stacking energy: -224.398
Base-Backbone interact. energy: -1.222
local terms energy: -347.137484
where:
bonds (distance) C4'-P energy: -95.818
bonds (distance) P-C4' energy: -95.504
flat angles C4'-P-C4' energy: -93.118
flat angles P-C4'-P energy: -45.317
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -682.626575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.626575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.626575 (E_RNA)
where:
Base-Base interactions energy: -357.228
where: short stacking energy: -190.473
Base-Backbone interact. energy: -1.509
local terms energy: -323.889336
where:
bonds (distance) C4'-P energy: -97.770
bonds (distance) P-C4' energy: -93.007
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -10.386
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: 47
Temperature: 0.900000
Total energy: -1944.424187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.424187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.424187 (E_RNA)
where:
Base-Base interactions energy: -1346.174
where: short stacking energy: -572.098
Base-Backbone interact. energy: -2.320
local terms energy: -595.930522
where:
bonds (distance) C4'-P energy: -104.356
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -122.077
flat angles P-C4'-P energy: -98.311
tors. eta vs tors. theta energy: -175.525
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: 47
Temperature: 0.950000
Total energy: -1790.300334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.300334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.300334 (E_RNA)
where:
Base-Base interactions energy: -1230.627
where: short stacking energy: -548.965
Base-Backbone interact. energy: 0.853
local terms energy: -560.526338
where:
bonds (distance) C4'-P energy: -105.540
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -111.939
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -153.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1736.610498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.610498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.610498 (E_RNA)
where:
Base-Base interactions energy: -1161.004
where: short stacking energy: -520.414
Base-Backbone interact. energy: -1.291
local terms energy: -574.315448
where:
bonds (distance) C4'-P energy: -109.681
bonds (distance) P-C4' energy: -113.282
flat angles C4'-P-C4' energy: -117.381
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -154.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1710.220315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.220315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.220315 (E_RNA)
where:
Base-Base interactions energy: -1165.035
where: short stacking energy: -518.003
Base-Backbone interact. energy: -0.878
local terms energy: -544.307852
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -97.778
flat angles C4'-P-C4' energy: -116.320
flat angles P-C4'-P energy: -84.200
tors. eta vs tors. theta energy: -153.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1591.244545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.244545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.244545 (E_RNA)
where:
Base-Base interactions energy: -1085.108
where: short stacking energy: -465.543
Base-Backbone interact. energy: -3.843
local terms energy: -502.293131
where:
bonds (distance) C4'-P energy: -102.542
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -105.782
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: -126.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1466.552149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.552149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.552149 (E_RNA)
where:
Base-Base interactions energy: -991.825
where: short stacking energy: -425.571
Base-Backbone interact. energy: -2.383
local terms energy: -472.343875
where:
bonds (distance) C4'-P energy: -79.618
bonds (distance) P-C4' energy: -102.903
flat angles C4'-P-C4' energy: -95.303
flat angles P-C4'-P energy: -70.622
tors. eta vs tors. theta energy: -123.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1394.179025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.179025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.179025 (E_RNA)
where:
Base-Base interactions energy: -921.565
where: short stacking energy: -400.654
Base-Backbone interact. energy: -1.340
local terms energy: -471.273436
where:
bonds (distance) C4'-P energy: -107.012
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -102.011
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -103.169
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: 47
Temperature: 1.250000
Total energy: -1332.434322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.434322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.434322 (E_RNA)
where:
Base-Base interactions energy: -896.168
where: short stacking energy: -385.426
Base-Backbone interact. energy: 1.709
local terms energy: -437.975198
where:
bonds (distance) C4'-P energy: -79.864
bonds (distance) P-C4' energy: -95.770
flat angles C4'-P-C4' energy: -104.170
flat angles P-C4'-P energy: -66.146
tors. eta vs tors. theta energy: -92.025
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -841.374507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.374507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.374507 (E_RNA)
where:
Base-Base interactions energy: -504.072
where: short stacking energy: -228.044
Base-Backbone interact. energy: -2.091
local terms energy: -335.212041
where:
bonds (distance) C4'-P energy: -71.184
bonds (distance) P-C4' energy: -97.591
flat angles C4'-P-C4' energy: -86.150
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -633.694549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.694549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.694549 (E_RNA)
where:
Base-Base interactions energy: -330.579
where: short stacking energy: -182.921
Base-Backbone interact. energy: -0.375
local terms energy: -302.740624
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -94.056
flat angles C4'-P-C4' energy: -82.827
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1937.481943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.481943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.481943 (E_RNA)
where:
Base-Base interactions energy: -1322.779
where: short stacking energy: -579.536
Base-Backbone interact. energy: -0.987
local terms energy: -613.716163
where:
bonds (distance) C4'-P energy: -111.963
bonds (distance) P-C4' energy: -108.568
flat angles C4'-P-C4' energy: -133.554
flat angles P-C4'-P energy: -81.604
tors. eta vs tors. theta energy: -178.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1762.573424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.573424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.573424 (E_RNA)
where:
Base-Base interactions energy: -1222.265
where: short stacking energy: -495.216
Base-Backbone interact. energy: -2.460
local terms energy: -537.848274
where:
bonds (distance) C4'-P energy: -107.632
bonds (distance) P-C4' energy: -104.111
flat angles C4'-P-C4' energy: -112.588
flat angles P-C4'-P energy: -73.242
tors. eta vs tors. theta energy: -140.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1752.917269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.917269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.917269 (E_RNA)
where:
Base-Base interactions energy: -1174.230
where: short stacking energy: -518.560
Base-Backbone interact. energy: 0.133
local terms energy: -578.820264
where:
bonds (distance) C4'-P energy: -92.024
bonds (distance) P-C4' energy: -113.032
flat angles C4'-P-C4' energy: -129.668
flat angles P-C4'-P energy: -88.348
tors. eta vs tors. theta energy: -155.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1660.179700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.179700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.179700 (E_RNA)
where:
Base-Base interactions energy: -1129.934
where: short stacking energy: -519.526
Base-Backbone interact. energy: -1.165
local terms energy: -529.080805
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -97.729
flat angles C4'-P-C4' energy: -109.147
flat angles P-C4'-P energy: -73.275
tors. eta vs tors. theta energy: -155.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1604.361749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.361749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.361749 (E_RNA)
where:
Base-Base interactions energy: -1084.428
where: short stacking energy: -466.818
Base-Backbone interact. energy: 0.607
local terms energy: -520.541723
where:
bonds (distance) C4'-P energy: -86.696
bonds (distance) P-C4' energy: -97.386
flat angles C4'-P-C4' energy: -106.451
flat angles P-C4'-P energy: -85.419
tors. eta vs tors. theta energy: -144.590
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1449.329544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.329544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.329544 (E_RNA)
where:
Base-Base interactions energy: -998.641
where: short stacking energy: -425.624
Base-Backbone interact. energy: -3.965
local terms energy: -446.723601
where:
bonds (distance) C4'-P energy: -96.288
bonds (distance) P-C4' energy: -92.506
flat angles C4'-P-C4' energy: -86.644
flat angles P-C4'-P energy: -61.559
tors. eta vs tors. theta energy: -109.726
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1364.275956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.275956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.275956 (E_RNA)
where:
Base-Base interactions energy: -891.229
where: short stacking energy: -383.664
Base-Backbone interact. energy: -3.693
local terms energy: -469.353328
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -88.368
flat angles C4'-P-C4' energy: -117.576
flat angles P-C4'-P energy: -65.807
tors. eta vs tors. theta energy: -111.425
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: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1334.089313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.089313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.089313 (E_RNA)
where:
Base-Base interactions energy: -880.792
where: short stacking energy: -354.976
Base-Backbone interact. energy: 2.167
local terms energy: -455.464417
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -92.219
flat angles C4'-P-C4' energy: -93.324
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -104.951
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -861.068564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.068564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.068564 (E_RNA)
where:
Base-Base interactions energy: -536.287
where: short stacking energy: -233.486
Base-Backbone interact. energy: 1.335
local terms energy: -326.116371
where:
bonds (distance) C4'-P energy: -81.502
bonds (distance) P-C4' energy: -93.154
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -21.276
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -659.906324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.906324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.906324 (E_RNA)
where:
Base-Base interactions energy: -344.713
where: short stacking energy: -170.140
Base-Backbone interact. energy: 3.175
local terms energy: -318.368308
where:
bonds (distance) C4'-P energy: -103.914
bonds (distance) P-C4' energy: -84.159
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -52.222
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1943.321820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.321820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.321820 (E_RNA)
where:
Base-Base interactions energy: -1353.722
where: short stacking energy: -576.708
Base-Backbone interact. energy: -1.660
local terms energy: -587.939059
where:
bonds (distance) C4'-P energy: -106.728
bonds (distance) P-C4' energy: -102.591
flat angles C4'-P-C4' energy: -115.708
flat angles P-C4'-P energy: -91.779
tors. eta vs tors. theta energy: -171.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1793.309504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.309504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.309504 (E_RNA)
where:
Base-Base interactions energy: -1230.114
where: short stacking energy: -524.138
Base-Backbone interact. energy: -0.098
local terms energy: -563.097496
where:
bonds (distance) C4'-P energy: -99.695
bonds (distance) P-C4' energy: -111.482
flat angles C4'-P-C4' energy: -119.635
flat angles P-C4'-P energy: -91.563
tors. eta vs tors. theta energy: -140.722
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: 49
Temperature: 1.000000
Total energy: -1734.759694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.759694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.759694 (E_RNA)
where:
Base-Base interactions energy: -1198.129
where: short stacking energy: -535.422
Base-Backbone interact. energy: -0.180
local terms energy: -536.450086
where:
bonds (distance) C4'-P energy: -79.046
bonds (distance) P-C4' energy: -96.456
flat angles C4'-P-C4' energy: -119.025
flat angles P-C4'-P energy: -80.649
tors. eta vs tors. theta energy: -161.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1701.807772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.807772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.807772 (E_RNA)
where:
Base-Base interactions energy: -1154.409
where: short stacking energy: -504.196
Base-Backbone interact. energy: 3.219
local terms energy: -550.617281
where:
bonds (distance) C4'-P energy: -102.450
bonds (distance) P-C4' energy: -93.219
flat angles C4'-P-C4' energy: -117.851
flat angles P-C4'-P energy: -83.629
tors. eta vs tors. theta energy: -153.468
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1654.680369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.680369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.680369 (E_RNA)
where:
Base-Base interactions energy: -1135.630
where: short stacking energy: -487.243
Base-Backbone interact. energy: -1.916
local terms energy: -517.134470
where:
bonds (distance) C4'-P energy: -100.105
bonds (distance) P-C4' energy: -96.458
flat angles C4'-P-C4' energy: -98.445
flat angles P-C4'-P energy: -72.898
tors. eta vs tors. theta energy: -149.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1450.117762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.117762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.117762 (E_RNA)
where:
Base-Base interactions energy: -963.840
where: short stacking energy: -424.765
Base-Backbone interact. energy: -1.756
local terms energy: -484.521279
where:
bonds (distance) C4'-P energy: -94.647
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -111.600
flat angles P-C4'-P energy: -62.097
tors. eta vs tors. theta energy: -118.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1383.944013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.944013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.944013 (E_RNA)
where:
Base-Base interactions energy: -937.306
where: short stacking energy: -380.435
Base-Backbone interact. energy: -1.151
local terms energy: -445.487633
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -109.339
flat angles C4'-P-C4' energy: -87.720
flat angles P-C4'-P energy: -71.156
tors. eta vs tors. theta energy: -94.742
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: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1314.447957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.447957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.447957 (E_RNA)
where:
Base-Base interactions energy: -891.016
where: short stacking energy: -393.095
Base-Backbone interact. energy: -0.812
local terms energy: -422.619325
where:
bonds (distance) C4'-P energy: -74.609
bonds (distance) P-C4' energy: -84.794
flat angles C4'-P-C4' energy: -95.286
flat angles P-C4'-P energy: -62.868
tors. eta vs tors. theta energy: -105.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -935.151202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.151202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.151202 (E_RNA)
where:
Base-Base interactions energy: -560.400
where: short stacking energy: -256.463
Base-Backbone interact. energy: 0.629
local terms energy: -375.379866
where:
bonds (distance) C4'-P energy: -78.391
bonds (distance) P-C4' energy: -102.339
flat angles C4'-P-C4' energy: -89.797
flat angles P-C4'-P energy: -58.689
tors. eta vs tors. theta energy: -46.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -634.059074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.059074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.059074 (E_RNA)
where:
Base-Base interactions energy: -339.677
where: short stacking energy: -173.723
Base-Backbone interact. energy: 1.015
local terms energy: -295.397250
where:
bonds (distance) C4'-P energy: -89.894
bonds (distance) P-C4' energy: -94.918
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -51.623
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1936.011742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.011742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.011742 (E_RNA)
where:
Base-Base interactions energy: -1324.203
where: short stacking energy: -591.939
Base-Backbone interact. energy: -1.297
local terms energy: -610.511119
where:
bonds (distance) C4'-P energy: -111.155
bonds (distance) P-C4' energy: -113.040
flat angles C4'-P-C4' energy: -125.997
flat angles P-C4'-P energy: -85.937
tors. eta vs tors. theta energy: -174.382
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1766.929066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.929066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.929066 (E_RNA)
where:
Base-Base interactions energy: -1221.250
where: short stacking energy: -535.492
Base-Backbone interact. energy: -2.475
local terms energy: -543.204450
where:
bonds (distance) C4'-P energy: -96.754
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -81.934
tors. eta vs tors. theta energy: -148.247
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: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1749.675970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.675970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.675970 (E_RNA)
where:
Base-Base interactions energy: -1175.985
where: short stacking energy: -527.541
Base-Backbone interact. energy: -2.023
local terms energy: -571.667929
where:
bonds (distance) C4'-P energy: -101.786
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -111.816
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -172.066
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1690.969632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.969632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.969632 (E_RNA)
where:
Base-Base interactions energy: -1153.043
where: short stacking energy: -515.105
Base-Backbone interact. energy: -1.600
local terms energy: -536.326672
where:
bonds (distance) C4'-P energy: -92.317
bonds (distance) P-C4' energy: -104.295
flat angles C4'-P-C4' energy: -110.518
flat angles P-C4'-P energy: -69.268
tors. eta vs tors. theta energy: -159.928
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: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1618.045860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.045860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.045860 (E_RNA)
where:
Base-Base interactions energy: -1100.546
where: short stacking energy: -469.623
Base-Backbone interact. energy: -1.152
local terms energy: -516.347788
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -91.605
flat angles C4'-P-C4' energy: -115.172
flat angles P-C4'-P energy: -75.289
tors. eta vs tors. theta energy: -139.238
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: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1412.475157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.475157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.475157 (E_RNA)
where:
Base-Base interactions energy: -947.860
where: short stacking energy: -400.996
Base-Backbone interact. energy: -0.271
local terms energy: -464.344965
where:
bonds (distance) C4'-P energy: -86.762
bonds (distance) P-C4' energy: -92.754
flat angles C4'-P-C4' energy: -108.538
flat angles P-C4'-P energy: -65.803
tors. eta vs tors. theta energy: -110.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1404.831708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.831708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.831708 (E_RNA)
where:
Base-Base interactions energy: -937.818
where: short stacking energy: -398.774
Base-Backbone interact. energy: -2.570
local terms energy: -464.444071
where:
bonds (distance) C4'-P energy: -78.036
bonds (distance) P-C4' energy: -104.906
flat angles C4'-P-C4' energy: -100.187
flat angles P-C4'-P energy: -71.286
tors. eta vs tors. theta energy: -110.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1278.824214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.824214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.824214 (E_RNA)
where:
Base-Base interactions energy: -861.553
where: short stacking energy: -368.447
Base-Backbone interact. energy: -1.463
local terms energy: -415.808331
where:
bonds (distance) C4'-P energy: -72.089
bonds (distance) P-C4' energy: -102.331
flat angles C4'-P-C4' energy: -97.153
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -88.764
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: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -886.932993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.932993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.932993 (E_RNA)
where:
Base-Base interactions energy: -572.226
where: short stacking energy: -255.588
Base-Backbone interact. energy: -2.067
local terms energy: -312.639887
where:
bonds (distance) C4'-P energy: -77.184
bonds (distance) P-C4' energy: -86.199
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -630.577722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.577722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.577722 (E_RNA)
where:
Base-Base interactions energy: -339.181
where: short stacking energy: -166.991
Base-Backbone interact. energy: -0.272
local terms energy: -291.124553
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -90.039
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -61.099
tors. eta vs tors. theta energy: 2.827
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: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1953.350988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.350988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.350988 (E_RNA)
where:
Base-Base interactions energy: -1335.699
where: short stacking energy: -574.419
Base-Backbone interact. energy: -2.502
local terms energy: -615.150029
where:
bonds (distance) C4'-P energy: -105.724
bonds (distance) P-C4' energy: -112.257
flat angles C4'-P-C4' energy: -114.622
flat angles P-C4'-P energy: -107.064
tors. eta vs tors. theta energy: -175.484
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1765.070412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.070412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.070412 (E_RNA)
where:
Base-Base interactions energy: -1216.810
where: short stacking energy: -515.134
Base-Backbone interact. energy: -1.568
local terms energy: -546.692803
where:
bonds (distance) C4'-P energy: -104.618
bonds (distance) P-C4' energy: -95.123
flat angles C4'-P-C4' energy: -120.254
flat angles P-C4'-P energy: -73.856
tors. eta vs tors. theta energy: -152.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1749.194803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.194803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.194803 (E_RNA)
where:
Base-Base interactions energy: -1190.374
where: short stacking energy: -534.100
Base-Backbone interact. energy: -1.573
local terms energy: -557.248538
where:
bonds (distance) C4'-P energy: -108.911
bonds (distance) P-C4' energy: -100.820
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -67.067
tors. eta vs tors. theta energy: -170.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1696.914284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.914284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.914284 (E_RNA)
where:
Base-Base interactions energy: -1176.612
where: short stacking energy: -512.263
Base-Backbone interact. energy: 1.984
local terms energy: -522.286490
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -95.002
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -81.281
tors. eta vs tors. theta energy: -144.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1646.081981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.081981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.081981 (E_RNA)
where:
Base-Base interactions energy: -1136.203
where: short stacking energy: -501.242
Base-Backbone interact. energy: -0.971
local terms energy: -508.907650
where:
bonds (distance) C4'-P energy: -96.707
bonds (distance) P-C4' energy: -88.434
flat angles C4'-P-C4' energy: -110.456
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -144.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1486.875359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.875359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.875359 (E_RNA)
where:
Base-Base interactions energy: -990.237
where: short stacking energy: -426.530
Base-Backbone interact. energy: -3.218
local terms energy: -493.420661
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -116.575
flat angles P-C4'-P energy: -59.413
tors. eta vs tors. theta energy: -107.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1360.421217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.421217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.421217 (E_RNA)
where:
Base-Base interactions energy: -927.419
where: short stacking energy: -411.196
Base-Backbone interact. energy: -1.606
local terms energy: -431.395824
where:
bonds (distance) C4'-P energy: -81.700
bonds (distance) P-C4' energy: -83.851
flat angles C4'-P-C4' energy: -92.446
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -104.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1230.597154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.597154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.597154 (E_RNA)
where:
Base-Base interactions energy: -824.171
where: short stacking energy: -366.446
Base-Backbone interact. energy: -0.023
local terms energy: -406.404008
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -97.784
flat angles P-C4'-P energy: -64.113
tors. eta vs tors. theta energy: -81.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -839.518063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.518063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.518063 (E_RNA)
where:
Base-Base interactions energy: -487.484
where: short stacking energy: -221.311
Base-Backbone interact. energy: 1.495
local terms energy: -353.529309
where:
bonds (distance) C4'-P energy: -78.080
bonds (distance) P-C4' energy: -99.414
flat angles C4'-P-C4' energy: -85.018
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -43.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -501.278838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.278838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.278838 (E_RNA)
where:
Base-Base interactions energy: -219.219
where: short stacking energy: -140.331
Base-Backbone interact. energy: -1.998
local terms energy: -280.061466
where:
bonds (distance) C4'-P energy: -84.967
bonds (distance) P-C4' energy: -81.040
flat angles C4'-P-C4' energy: -76.033
flat angles P-C4'-P energy: -48.387
tors. eta vs tors. theta energy: 10.365
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: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1941.617922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.617922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.617922 (E_RNA)
where:
Base-Base interactions energy: -1327.240
where: short stacking energy: -563.746
Base-Backbone interact. energy: -3.251
local terms energy: -611.126697
where:
bonds (distance) C4'-P energy: -104.700
bonds (distance) P-C4' energy: -118.273
flat angles C4'-P-C4' energy: -119.431
flat angles P-C4'-P energy: -91.099
tors. eta vs tors. theta energy: -177.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1776.889584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.889584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.889584 (E_RNA)
where:
Base-Base interactions energy: -1210.035
where: short stacking energy: -537.318
Base-Backbone interact. energy: -3.142
local terms energy: -563.712819
where:
bonds (distance) C4'-P energy: -109.897
bonds (distance) P-C4' energy: -105.191
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -158.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1761.463215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.463215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.463215 (E_RNA)
where:
Base-Base interactions energy: -1183.314
where: short stacking energy: -531.374
Base-Backbone interact. energy: 1.354
local terms energy: -579.503239
where:
bonds (distance) C4'-P energy: -110.729
bonds (distance) P-C4' energy: -107.772
flat angles C4'-P-C4' energy: -121.051
flat angles P-C4'-P energy: -77.869
tors. eta vs tors. theta energy: -162.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1732.319786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.319786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.319786 (E_RNA)
where:
Base-Base interactions energy: -1164.288
where: short stacking energy: -499.270
Base-Backbone interact. energy: 2.728
local terms energy: -570.760068
where:
bonds (distance) C4'-P energy: -106.035
bonds (distance) P-C4' energy: -110.811
flat angles C4'-P-C4' energy: -114.273
flat angles P-C4'-P energy: -89.111
tors. eta vs tors. theta energy: -150.531
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: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1623.067126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.067126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.067126 (E_RNA)
where:
Base-Base interactions energy: -1118.164
where: short stacking energy: -477.320
Base-Backbone interact. energy: -0.280
local terms energy: -504.623042
where:
bonds (distance) C4'-P energy: -102.540
bonds (distance) P-C4' energy: -86.668
flat angles C4'-P-C4' energy: -116.321
flat angles P-C4'-P energy: -76.236
tors. eta vs tors. theta energy: -122.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1438.077374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.077374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.077374 (E_RNA)
where:
Base-Base interactions energy: -980.124
where: short stacking energy: -422.520
Base-Backbone interact. energy: -0.474
local terms energy: -457.479301
where:
bonds (distance) C4'-P energy: -90.690
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -60.176
tors. eta vs tors. theta energy: -111.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1386.716526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.716526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.716526 (E_RNA)
where:
Base-Base interactions energy: -926.385
where: short stacking energy: -423.949
Base-Backbone interact. energy: -2.070
local terms energy: -458.261639
where:
bonds (distance) C4'-P energy: -99.892
bonds (distance) P-C4' energy: -98.797
flat angles C4'-P-C4' energy: -99.727
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -100.892
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: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1241.632398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.632398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.632398 (E_RNA)
where:
Base-Base interactions energy: -820.830
where: short stacking energy: -358.354
Base-Backbone interact. energy: 1.077
local terms energy: -421.879403
where:
bonds (distance) C4'-P energy: -78.009
bonds (distance) P-C4' energy: -95.591
flat angles C4'-P-C4' energy: -103.311
flat angles P-C4'-P energy: -66.064
tors. eta vs tors. theta energy: -78.903
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: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -824.960518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.960518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.960518 (E_RNA)
where:
Base-Base interactions energy: -478.451
where: short stacking energy: -227.091
Base-Backbone interact. energy: -1.155
local terms energy: -345.353967
where:
bonds (distance) C4'-P energy: -81.069
bonds (distance) P-C4' energy: -98.309
flat angles C4'-P-C4' energy: -96.509
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -523.963193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.963193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.963193 (E_RNA)
where:
Base-Base interactions energy: -242.370
where: short stacking energy: -147.144
Base-Backbone interact. energy: 2.689
local terms energy: -284.282182
where:
bonds (distance) C4'-P energy: -102.342
bonds (distance) P-C4' energy: -95.231
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: 28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1951.983673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.983673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.983673 (E_RNA)
where:
Base-Base interactions energy: -1328.113
where: short stacking energy: -584.409
Base-Backbone interact. energy: -2.265
local terms energy: -621.605097
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -115.015
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -93.566
tors. eta vs tors. theta energy: -174.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1808.490741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.490741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.490741 (E_RNA)
where:
Base-Base interactions energy: -1226.095
where: short stacking energy: -538.560
Base-Backbone interact. energy: -0.124
local terms energy: -582.271321
where:
bonds (distance) C4'-P energy: -118.758
bonds (distance) P-C4' energy: -100.923
flat angles C4'-P-C4' energy: -117.419
flat angles P-C4'-P energy: -82.627
tors. eta vs tors. theta energy: -162.544
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: 53
Temperature: 1.000000
Total energy: -1747.614936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.614936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.614936 (E_RNA)
where:
Base-Base interactions energy: -1194.442
where: short stacking energy: -537.420
Base-Backbone interact. energy: -2.153
local terms energy: -551.019802
where:
bonds (distance) C4'-P energy: -99.026
bonds (distance) P-C4' energy: -105.939
flat angles C4'-P-C4' energy: -109.637
flat angles P-C4'-P energy: -70.318
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: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1726.775733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.775733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.775733 (E_RNA)
where:
Base-Base interactions energy: -1172.207
where: short stacking energy: -507.351
Base-Backbone interact. energy: -2.752
local terms energy: -551.816707
where:
bonds (distance) C4'-P energy: -100.210
bonds (distance) P-C4' energy: -101.040
flat angles C4'-P-C4' energy: -123.843
flat angles P-C4'-P energy: -76.696
tors. eta vs tors. theta energy: -150.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1619.984544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.984544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.984544 (E_RNA)
where:
Base-Base interactions energy: -1104.238
where: short stacking energy: -470.667
Base-Backbone interact. energy: -1.373
local terms energy: -514.374191
where:
bonds (distance) C4'-P energy: -91.965
bonds (distance) P-C4' energy: -97.321
flat angles C4'-P-C4' energy: -113.304
flat angles P-C4'-P energy: -70.324
tors. eta vs tors. theta energy: -141.460
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: 53
Temperature: 1.150000
Total energy: -1474.240332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.240332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.240332 (E_RNA)
where:
Base-Base interactions energy: -999.696
where: short stacking energy: -431.939
Base-Backbone interact. energy: -2.529
local terms energy: -472.014642
where:
bonds (distance) C4'-P energy: -86.229
bonds (distance) P-C4' energy: -100.829
flat angles C4'-P-C4' energy: -100.573
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -118.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1356.021641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.021641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.021641 (E_RNA)
where:
Base-Base interactions energy: -925.298
where: short stacking energy: -389.632
Base-Backbone interact. energy: -0.213
local terms energy: -430.511062
where:
bonds (distance) C4'-P energy: -85.450
bonds (distance) P-C4' energy: -98.515
flat angles C4'-P-C4' energy: -85.446
flat angles P-C4'-P energy: -69.316
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: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1302.192495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.192495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.192495 (E_RNA)
where:
Base-Base interactions energy: -875.056
where: short stacking energy: -385.632
Base-Backbone interact. energy: 0.057
local terms energy: -427.193419
where:
bonds (distance) C4'-P energy: -96.502
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -96.236
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -83.907
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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -797.286115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.286115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.286115 (E_RNA)
where:
Base-Base interactions energy: -461.898
where: short stacking energy: -203.488
Base-Backbone interact. energy: 6.999
local terms energy: -342.387341
where:
bonds (distance) C4'-P energy: -90.868
bonds (distance) P-C4' energy: -96.736
flat angles C4'-P-C4' energy: -88.145
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -526.493503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.493503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.493503 (E_RNA)
where:
Base-Base interactions energy: -260.792
where: short stacking energy: -167.753
Base-Backbone interact. energy: -0.503
local terms energy: -265.198419
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -95.115
flat angles C4'-P-C4' energy: -69.035
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -6.739
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: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1960.861862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.861862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.861862 (E_RNA)
where:
Base-Base interactions energy: -1334.517
where: short stacking energy: -573.051
Base-Backbone interact. energy: -2.667
local terms energy: -623.678312
where:
bonds (distance) C4'-P energy: -110.751
bonds (distance) P-C4' energy: -114.799
flat angles C4'-P-C4' energy: -137.596
flat angles P-C4'-P energy: -94.369
tors. eta vs tors. theta energy: -166.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1811.138437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.138437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.138437 (E_RNA)
where:
Base-Base interactions energy: -1213.926
where: short stacking energy: -555.194
Base-Backbone interact. energy: -1.001
local terms energy: -596.211537
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -103.323
flat angles C4'-P-C4' energy: -135.825
flat angles P-C4'-P energy: -84.551
tors. eta vs tors. theta energy: -169.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1736.284663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.284663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.284663 (E_RNA)
where:
Base-Base interactions energy: -1178.077
where: short stacking energy: -515.614
Base-Backbone interact. energy: -0.225
local terms energy: -557.982951
where:
bonds (distance) C4'-P energy: -92.350
bonds (distance) P-C4' energy: -104.972
flat angles C4'-P-C4' energy: -128.596
flat angles P-C4'-P energy: -85.365
tors. eta vs tors. theta energy: -146.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1654.539500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.539500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.539500 (E_RNA)
where:
Base-Base interactions energy: -1122.046
where: short stacking energy: -485.260
Base-Backbone interact. energy: 1.041
local terms energy: -533.534294
where:
bonds (distance) C4'-P energy: -105.436
bonds (distance) P-C4' energy: -103.548
flat angles C4'-P-C4' energy: -114.842
flat angles P-C4'-P energy: -57.845
tors. eta vs tors. theta energy: -151.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1621.789084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.789084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.789084 (E_RNA)
where:
Base-Base interactions energy: -1112.465
where: short stacking energy: -476.458
Base-Backbone interact. energy: -1.915
local terms energy: -507.409368
where:
bonds (distance) C4'-P energy: -82.894
bonds (distance) P-C4' energy: -89.756
flat angles C4'-P-C4' energy: -115.282
flat angles P-C4'-P energy: -78.125
tors. eta vs tors. theta energy: -141.352
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1482.880914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.880914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.880914 (E_RNA)
where:
Base-Base interactions energy: -1021.048
where: short stacking energy: -447.112
Base-Backbone interact. energy: -0.709
local terms energy: -461.123421
where:
bonds (distance) C4'-P energy: -89.526
bonds (distance) P-C4' energy: -73.871
flat angles C4'-P-C4' energy: -112.110
flat angles P-C4'-P energy: -60.009
tors. eta vs tors. theta energy: -125.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1390.954021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.954021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.954021 (E_RNA)
where:
Base-Base interactions energy: -931.340
where: short stacking energy: -377.187
Base-Backbone interact. energy: -2.592
local terms energy: -457.022370
where:
bonds (distance) C4'-P energy: -104.252
bonds (distance) P-C4' energy: -104.263
flat angles C4'-P-C4' energy: -93.932
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: -93.255
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: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1389.046232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.046232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.046232 (E_RNA)
where:
Base-Base interactions energy: -953.118
where: short stacking energy: -408.716
Base-Backbone interact. energy: -2.440
local terms energy: -433.488410
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -65.914
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -108.362
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -769.856818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.856818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.856818 (E_RNA)
where:
Base-Base interactions energy: -467.002
where: short stacking energy: -223.745
Base-Backbone interact. energy: -1.009
local terms energy: -301.846104
where:
bonds (distance) C4'-P energy: -76.799
bonds (distance) P-C4' energy: -81.321
flat angles C4'-P-C4' energy: -82.273
flat angles P-C4'-P energy: -51.878
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -573.633962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.633962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.633962 (E_RNA)
where:
Base-Base interactions energy: -270.706
where: short stacking energy: -152.311
Base-Backbone interact. energy: 0.186
local terms energy: -303.114173
where:
bonds (distance) C4'-P energy: -73.678
bonds (distance) P-C4' energy: -107.203
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1959.542474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.542474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.542474 (E_RNA)
where:
Base-Base interactions energy: -1376.838
where: short stacking energy: -586.709
Base-Backbone interact. energy: -4.970
local terms energy: -577.735275
where:
bonds (distance) C4'-P energy: -111.229
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -122.969
flat angles P-C4'-P energy: -77.619
tors. eta vs tors. theta energy: -169.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1828.510755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.510755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.510755 (E_RNA)
where:
Base-Base interactions energy: -1262.804
where: short stacking energy: -551.038
Base-Backbone interact. energy: -0.962
local terms energy: -564.744550
where:
bonds (distance) C4'-P energy: -99.270
bonds (distance) P-C4' energy: -109.267
flat angles C4'-P-C4' energy: -113.545
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -165.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1769.811307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.811307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.811307 (E_RNA)
where:
Base-Base interactions energy: -1208.076
where: short stacking energy: -526.059
Base-Backbone interact. energy: -2.433
local terms energy: -559.302063
where:
bonds (distance) C4'-P energy: -112.606
bonds (distance) P-C4' energy: -95.398
flat angles C4'-P-C4' energy: -113.749
flat angles P-C4'-P energy: -75.718
tors. eta vs tors. theta energy: -161.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1682.061862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.061862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.061862 (E_RNA)
where:
Base-Base interactions energy: -1176.901
where: short stacking energy: -516.242
Base-Backbone interact. energy: -0.911
local terms energy: -504.249447
where:
bonds (distance) C4'-P energy: -84.276
bonds (distance) P-C4' energy: -98.936
flat angles C4'-P-C4' energy: -119.131
flat angles P-C4'-P energy: -64.033
tors. eta vs tors. theta energy: -137.874
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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1626.391018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.391018 (E_RNA)
where:
Base-Base interactions energy: -1105.162
where: short stacking energy: -469.766
Base-Backbone interact. energy: -0.154
local terms energy: -521.074871
where:
bonds (distance) C4'-P energy: -92.337
bonds (distance) P-C4' energy: -96.098
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -72.383
tors. eta vs tors. theta energy: -145.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1479.647070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.647070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.647070 (E_RNA)
where:
Base-Base interactions energy: -1001.497
where: short stacking energy: -416.678
Base-Backbone interact. energy: -1.752
local terms energy: -476.398032
where:
bonds (distance) C4'-P energy: -94.960
bonds (distance) P-C4' energy: -94.435
flat angles C4'-P-C4' energy: -106.004
flat angles P-C4'-P energy: -66.103
tors. eta vs tors. theta energy: -114.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1393.222672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.222672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.222672 (E_RNA)
where:
Base-Base interactions energy: -913.018
where: short stacking energy: -410.580
Base-Backbone interact. energy: -0.381
local terms energy: -479.823672
where:
bonds (distance) C4'-P energy: -97.952
bonds (distance) P-C4' energy: -96.843
flat angles C4'-P-C4' energy: -98.038
flat angles P-C4'-P energy: -71.501
tors. eta vs tors. theta energy: -115.490
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: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1332.052984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.052984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.052984 (E_RNA)
where:
Base-Base interactions energy: -886.331
where: short stacking energy: -369.372
Base-Backbone interact. energy: -2.289
local terms energy: -443.432892
where:
bonds (distance) C4'-P energy: -100.503
bonds (distance) P-C4' energy: -79.511
flat angles C4'-P-C4' energy: -101.571
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -106.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -791.442248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.442248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.442248 (E_RNA)
where:
Base-Base interactions energy: -468.358
where: short stacking energy: -229.439
Base-Backbone interact. energy: 2.922
local terms energy: -326.006357
where:
bonds (distance) C4'-P energy: -95.795
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -65.003
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -24.204
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -610.491646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.491646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.491646 (E_RNA)
where:
Base-Base interactions energy: -314.805
where: short stacking energy: -165.014
Base-Backbone interact. energy: 4.048
local terms energy: -299.734346
where:
bonds (distance) C4'-P energy: -93.054
bonds (distance) P-C4' energy: -81.063
flat angles C4'-P-C4' energy: -84.643
flat angles P-C4'-P energy: -48.919
tors. eta vs tors. theta energy: 7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1943.512526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.512526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.512526 (E_RNA)
where:
Base-Base interactions energy: -1354.587
where: short stacking energy: -552.699
Base-Backbone interact. energy: -3.045
local terms energy: -585.880584
where:
bonds (distance) C4'-P energy: -110.798
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -114.216
flat angles P-C4'-P energy: -80.629
tors. eta vs tors. theta energy: -172.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1843.957372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.957372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.957372 (E_RNA)
where:
Base-Base interactions energy: -1259.022
where: short stacking energy: -554.996
Base-Backbone interact. energy: -0.934
local terms energy: -584.001109
where:
bonds (distance) C4'-P energy: -90.256
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -124.787
flat angles P-C4'-P energy: -79.862
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1787.310622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.310622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.310622 (E_RNA)
where:
Base-Base interactions energy: -1233.405
where: short stacking energy: -541.040
Base-Backbone interact. energy: -2.039
local terms energy: -551.865963
where:
bonds (distance) C4'-P energy: -92.247
bonds (distance) P-C4' energy: -102.087
flat angles C4'-P-C4' energy: -117.156
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -166.428
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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1733.185681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.185681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.185681 (E_RNA)
where:
Base-Base interactions energy: -1198.968
where: short stacking energy: -516.828
Base-Backbone interact. energy: 3.015
local terms energy: -537.232310
where:
bonds (distance) C4'-P energy: -102.879
bonds (distance) P-C4' energy: -97.737
flat angles C4'-P-C4' energy: -101.096
flat angles P-C4'-P energy: -74.299
tors. eta vs tors. theta energy: -161.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1600.236211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.236211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.236211 (E_RNA)
where:
Base-Base interactions energy: -1080.471
where: short stacking energy: -447.650
Base-Backbone interact. energy: -2.064
local terms energy: -517.701235
where:
bonds (distance) C4'-P energy: -110.625
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -111.958
flat angles P-C4'-P energy: -86.547
tors. eta vs tors. theta energy: -122.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1532.780773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.780773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.780773 (E_RNA)
where:
Base-Base interactions energy: -1025.185
where: short stacking energy: -416.999
Base-Backbone interact. energy: -1.742
local terms energy: -505.853840
where:
bonds (distance) C4'-P energy: -107.198
bonds (distance) P-C4' energy: -112.146
flat angles C4'-P-C4' energy: -105.765
flat angles P-C4'-P energy: -57.589
tors. eta vs tors. theta energy: -123.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1398.791800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.791800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.791800 (E_RNA)
where:
Base-Base interactions energy: -920.403
where: short stacking energy: -391.450
Base-Backbone interact. energy: -0.039
local terms energy: -478.350116
where:
bonds (distance) C4'-P energy: -94.156
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -105.157
flat angles P-C4'-P energy: -68.920
tors. eta vs tors. theta energy: -108.939
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: 56
Temperature: 1.250000
Total energy: -1368.361917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.361917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.361917 (E_RNA)
where:
Base-Base interactions energy: -910.097
where: short stacking energy: -412.832
Base-Backbone interact. energy: 2.097
local terms energy: -460.362629
where:
bonds (distance) C4'-P energy: -87.436
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -100.506
flat angles P-C4'-P energy: -58.757
tors. eta vs tors. theta energy: -115.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -828.824722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.824722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.824722 (E_RNA)
where:
Base-Base interactions energy: -464.937
where: short stacking energy: -213.529
Base-Backbone interact. energy: -3.146
local terms energy: -360.741406
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -100.872
flat angles C4'-P-C4' energy: -96.682
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -29.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -642.426686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.426686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.426686 (E_RNA)
where:
Base-Base interactions energy: -342.138
where: short stacking energy: -168.604
Base-Backbone interact. energy: -2.019
local terms energy: -298.269909
where:
bonds (distance) C4'-P energy: -95.900
bonds (distance) P-C4' energy: -87.250
flat angles C4'-P-C4' energy: -64.289
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -5.302
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: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1959.468009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.468009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.468009 (E_RNA)
where:
Base-Base interactions energy: -1360.510
where: short stacking energy: -593.701
Base-Backbone interact. energy: -5.249
local terms energy: -593.708625
where:
bonds (distance) C4'-P energy: -91.047
bonds (distance) P-C4' energy: -112.750
flat angles C4'-P-C4' energy: -124.429
flat angles P-C4'-P energy: -95.186
tors. eta vs tors. theta energy: -170.296
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1823.288464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.288464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.288464 (E_RNA)
where:
Base-Base interactions energy: -1237.973
where: short stacking energy: -571.029
Base-Backbone interact. energy: -2.848
local terms energy: -582.468000
where:
bonds (distance) C4'-P energy: -98.404
bonds (distance) P-C4' energy: -103.206
flat angles C4'-P-C4' energy: -126.244
flat angles P-C4'-P energy: -86.757
tors. eta vs tors. theta energy: -167.857
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: 57
Temperature: 1.000000
Total energy: -1776.123242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.123242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.123242 (E_RNA)
where:
Base-Base interactions energy: -1203.369
where: short stacking energy: -548.872
Base-Backbone interact. energy: -0.622
local terms energy: -572.131823
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -113.343
flat angles P-C4'-P energy: -90.398
tors. eta vs tors. theta energy: -159.728
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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1755.414078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.414078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.414078 (E_RNA)
where:
Base-Base interactions energy: -1182.901
where: short stacking energy: -517.766
Base-Backbone interact. energy: 1.216
local terms energy: -573.729115
where:
bonds (distance) C4'-P energy: -102.994
bonds (distance) P-C4' energy: -107.123
flat angles C4'-P-C4' energy: -110.302
flat angles P-C4'-P energy: -92.594
tors. eta vs tors. theta energy: -160.716
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: 57
Temperature: 1.100000
Total energy: -1653.796838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.796838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.796838 (E_RNA)
where:
Base-Base interactions energy: -1110.667
where: short stacking energy: -486.687
Base-Backbone interact. energy: -2.195
local terms energy: -540.934544
where:
bonds (distance) C4'-P energy: -91.397
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -116.026
flat angles P-C4'-P energy: -81.616
tors. eta vs tors. theta energy: -150.717
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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1517.884118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.884118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.884118 (E_RNA)
where:
Base-Base interactions energy: -1014.055
where: short stacking energy: -441.823
Base-Backbone interact. energy: 0.372
local terms energy: -504.201264
where:
bonds (distance) C4'-P energy: -86.212
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -112.843
flat angles P-C4'-P energy: -70.266
tors. eta vs tors. theta energy: -126.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1361.418641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.418641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.418641 (E_RNA)
where:
Base-Base interactions energy: -903.234
where: short stacking energy: -399.400
Base-Backbone interact. energy: -1.536
local terms energy: -456.648694
where:
bonds (distance) C4'-P energy: -86.730
bonds (distance) P-C4' energy: -92.437
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -63.634
tors. eta vs tors. theta energy: -104.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1349.454352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.454352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.454352 (E_RNA)
where:
Base-Base interactions energy: -900.585
where: short stacking energy: -386.784
Base-Backbone interact. energy: -1.708
local terms energy: -447.161932
where:
bonds (distance) C4'-P energy: -73.920
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -97.410
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -816.970629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.970629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.970629 (E_RNA)
where:
Base-Base interactions energy: -461.151
where: short stacking energy: -227.123
Base-Backbone interact. energy: 2.145
local terms energy: -357.964170
where:
bonds (distance) C4'-P energy: -93.688
bonds (distance) P-C4' energy: -90.167
flat angles C4'-P-C4' energy: -103.274
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -22.547
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -607.206959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.206959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.206959 (E_RNA)
where:
Base-Base interactions energy: -307.327
where: short stacking energy: -172.987
Base-Backbone interact. energy: -1.642
local terms energy: -298.237911
where:
bonds (distance) C4'-P energy: -88.445
bonds (distance) P-C4' energy: -84.583
flat angles C4'-P-C4' energy: -84.969
flat angles P-C4'-P energy: -46.229
tors. eta vs tors. theta energy: 5.988
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: 58
Temperature: 0.900000
Total energy: -1923.914033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.914033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.914033 (E_RNA)
where:
Base-Base interactions energy: -1323.768
where: short stacking energy: -571.381
Base-Backbone interact. energy: -4.495
local terms energy: -595.650849
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -129.571
flat angles P-C4'-P energy: -92.019
tors. eta vs tors. theta energy: -167.705
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: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1778.401395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.401395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.401395 (E_RNA)
where:
Base-Base interactions energy: -1228.267
where: short stacking energy: -550.241
Base-Backbone interact. energy: -3.746
local terms energy: -546.388610
where:
bonds (distance) C4'-P energy: -95.257
bonds (distance) P-C4' energy: -101.718
flat angles C4'-P-C4' energy: -118.460
flat angles P-C4'-P energy: -71.394
tors. eta vs tors. theta energy: -159.560
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1809.427165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.427165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.427165 (E_RNA)
where:
Base-Base interactions energy: -1241.190
where: short stacking energy: -556.736
Base-Backbone interact. energy: -0.775
local terms energy: -567.461619
where:
bonds (distance) C4'-P energy: -106.550
bonds (distance) P-C4' energy: -97.831
flat angles C4'-P-C4' energy: -116.002
flat angles P-C4'-P energy: -75.675
tors. eta vs tors. theta energy: -171.404
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: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1746.566047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.566047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.566047 (E_RNA)
where:
Base-Base interactions energy: -1182.613
where: short stacking energy: -494.264
Base-Backbone interact. energy: 0.422
local terms energy: -564.374804
where:
bonds (distance) C4'-P energy: -97.221
bonds (distance) P-C4' energy: -101.566
flat angles C4'-P-C4' energy: -125.447
flat angles P-C4'-P energy: -80.482
tors. eta vs tors. theta energy: -159.658
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1601.413501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.413501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.413501 (E_RNA)
where:
Base-Base interactions energy: -1104.566
where: short stacking energy: -478.280
Base-Backbone interact. energy: 0.869
local terms energy: -497.716109
where:
bonds (distance) C4'-P energy: -92.371
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -110.333
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -131.582
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: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1529.705077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.705077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.705077 (E_RNA)
where:
Base-Base interactions energy: -1048.267
where: short stacking energy: -461.818
Base-Backbone interact. energy: -1.889
local terms energy: -479.549775
where:
bonds (distance) C4'-P energy: -85.803
bonds (distance) P-C4' energy: -93.704
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -130.761
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: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1397.445703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.445703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.445703 (E_RNA)
where:
Base-Base interactions energy: -933.710
where: short stacking energy: -417.296
Base-Backbone interact. energy: 0.316
local terms energy: -464.052279
where:
bonds (distance) C4'-P energy: -83.757
bonds (distance) P-C4' energy: -84.462
flat angles C4'-P-C4' energy: -111.891
flat angles P-C4'-P energy: -83.669
tors. eta vs tors. theta energy: -100.273
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: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1328.867628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.867628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.867628 (E_RNA)
where:
Base-Base interactions energy: -909.726
where: short stacking energy: -401.399
Base-Backbone interact. energy: -0.927
local terms energy: -418.214579
where:
bonds (distance) C4'-P energy: -88.855
bonds (distance) P-C4' energy: -82.358
flat angles C4'-P-C4' energy: -95.443
flat angles P-C4'-P energy: -60.178
tors. eta vs tors. theta energy: -91.382
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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -762.860203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.860203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.860203 (E_RNA)
where:
Base-Base interactions energy: -440.696
where: short stacking energy: -235.029
Base-Backbone interact. energy: -2.138
local terms energy: -320.026175
where:
bonds (distance) C4'-P energy: -86.842
bonds (distance) P-C4' energy: -100.691
flat angles C4'-P-C4' energy: -82.620
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -12.945
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: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -547.874569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.874569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.874569 (E_RNA)
where:
Base-Base interactions energy: -275.874
where: short stacking energy: -160.143
Base-Backbone interact. energy: 0.331
local terms energy: -272.331628
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -103.123
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1924.093847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.093847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.093847 (E_RNA)
where:
Base-Base interactions energy: -1309.933
where: short stacking energy: -558.289
Base-Backbone interact. energy: -2.516
local terms energy: -611.644957
where:
bonds (distance) C4'-P energy: -108.064
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -123.427
flat angles P-C4'-P energy: -93.657
tors. eta vs tors. theta energy: -179.685
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: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1823.288004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.288004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.288004 (E_RNA)
where:
Base-Base interactions energy: -1257.679
where: short stacking energy: -561.114
Base-Backbone interact. energy: -1.124
local terms energy: -564.485077
where:
bonds (distance) C4'-P energy: -102.328
bonds (distance) P-C4' energy: -100.188
flat angles C4'-P-C4' energy: -119.799
flat angles P-C4'-P energy: -73.482
tors. eta vs tors. theta energy: -168.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1773.656212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.656212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.656212 (E_RNA)
where:
Base-Base interactions energy: -1193.108
where: short stacking energy: -526.364
Base-Backbone interact. energy: -0.746
local terms energy: -579.801292
where:
bonds (distance) C4'-P energy: -100.443
bonds (distance) P-C4' energy: -114.732
flat angles C4'-P-C4' energy: -121.796
flat angles P-C4'-P energy: -77.390
tors. eta vs tors. theta energy: -165.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1739.109413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.109413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.109413 (E_RNA)
where:
Base-Base interactions energy: -1201.174
where: short stacking energy: -498.355
Base-Backbone interact. energy: 6.869
local terms energy: -544.804905
where:
bonds (distance) C4'-P energy: -95.291
bonds (distance) P-C4' energy: -105.515
flat angles C4'-P-C4' energy: -119.449
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -159.302
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: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1619.560357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.560357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.560357 (E_RNA)
where:
Base-Base interactions energy: -1101.065
where: short stacking energy: -484.524
Base-Backbone interact. energy: 0.412
local terms energy: -518.907753
where:
bonds (distance) C4'-P energy: -99.460
bonds (distance) P-C4' energy: -103.151
flat angles C4'-P-C4' energy: -115.152
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -131.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1557.901812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.901812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.901812 (E_RNA)
where:
Base-Base interactions energy: -1062.549
where: short stacking energy: -459.481
Base-Backbone interact. energy: -2.925
local terms energy: -492.427687
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -93.306
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -126.935
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1428.919864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.919864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.919864 (E_RNA)
where:
Base-Base interactions energy: -957.088
where: short stacking energy: -421.193
Base-Backbone interact. energy: 1.096
local terms energy: -472.927619
where:
bonds (distance) C4'-P energy: -94.739
bonds (distance) P-C4' energy: -89.148
flat angles C4'-P-C4' energy: -99.712
flat angles P-C4'-P energy: -76.244
tors. eta vs tors. theta energy: -113.085
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: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1191.738113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.738113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.738113 (E_RNA)
where:
Base-Base interactions energy: -791.326
where: short stacking energy: -342.688
Base-Backbone interact. energy: -2.499
local terms energy: -397.912950
where:
bonds (distance) C4'-P energy: -96.156
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -78.293
flat angles P-C4'-P energy: -62.974
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: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -766.827853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.827853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.827853 (E_RNA)
where:
Base-Base interactions energy: -458.768
where: short stacking energy: -241.490
Base-Backbone interact. energy: -3.088
local terms energy: -304.971963
where:
bonds (distance) C4'-P energy: -66.463
bonds (distance) P-C4' energy: -89.949
flat angles C4'-P-C4' energy: -87.223
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -583.176202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.176202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.176202 (E_RNA)
where:
Base-Base interactions energy: -273.099
where: short stacking energy: -145.631
Base-Backbone interact. energy: -2.325
local terms energy: -307.752267
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -105.691
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: 10.282
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: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1943.547284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.547284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.547284 (E_RNA)
where:
Base-Base interactions energy: -1336.528
where: short stacking energy: -583.415
Base-Backbone interact. energy: -2.538
local terms energy: -604.481375
where:
bonds (distance) C4'-P energy: -112.068
bonds (distance) P-C4' energy: -106.625
flat angles C4'-P-C4' energy: -129.542
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -171.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1830.212275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.212275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.212275 (E_RNA)
where:
Base-Base interactions energy: -1259.986
where: short stacking energy: -558.889
Base-Backbone interact. energy: 1.403
local terms energy: -571.629412
where:
bonds (distance) C4'-P energy: -89.141
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -130.786
flat angles P-C4'-P energy: -85.960
tors. eta vs tors. theta energy: -156.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1726.084485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.084485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.084485 (E_RNA)
where:
Base-Base interactions energy: -1171.543
where: short stacking energy: -513.035
Base-Backbone interact. energy: 0.801
local terms energy: -555.342225
where:
bonds (distance) C4'-P energy: -104.111
bonds (distance) P-C4' energy: -103.050
flat angles C4'-P-C4' energy: -120.027
flat angles P-C4'-P energy: -83.578
tors. eta vs tors. theta energy: -144.576
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1734.506733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.506733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.506733 (E_RNA)
where:
Base-Base interactions energy: -1178.280
where: short stacking energy: -515.961
Base-Backbone interact. energy: -2.544
local terms energy: -553.682687
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -103.779
flat angles C4'-P-C4' energy: -123.460
flat angles P-C4'-P energy: -75.385
tors. eta vs tors. theta energy: -161.070
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1621.126782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.126782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.126782 (E_RNA)
where:
Base-Base interactions energy: -1101.815
where: short stacking energy: -472.080
Base-Backbone interact. energy: -3.261
local terms energy: -516.050490
where:
bonds (distance) C4'-P energy: -101.953
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -108.077
flat angles P-C4'-P energy: -71.839
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: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1553.250404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.250404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.250404 (E_RNA)
where:
Base-Base interactions energy: -1079.791
where: short stacking energy: -450.335
Base-Backbone interact. energy: -2.499
local terms energy: -470.959708
where:
bonds (distance) C4'-P energy: -81.239
bonds (distance) P-C4' energy: -101.937
flat angles C4'-P-C4' energy: -102.163
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -131.440
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1382.355267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.355267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.355267 (E_RNA)
where:
Base-Base interactions energy: -912.359
where: short stacking energy: -397.217
Base-Backbone interact. energy: -1.758
local terms energy: -468.238226
where:
bonds (distance) C4'-P energy: -87.118
bonds (distance) P-C4' energy: -107.155
flat angles C4'-P-C4' energy: -108.334
flat angles P-C4'-P energy: -68.413
tors. eta vs tors. theta energy: -97.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1218.343667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.343667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.343667 (E_RNA)
where:
Base-Base interactions energy: -813.421
where: short stacking energy: -388.499
Base-Backbone interact. energy: -2.264
local terms energy: -402.658303
where:
bonds (distance) C4'-P energy: -92.647
bonds (distance) P-C4' energy: -87.462
flat angles C4'-P-C4' energy: -68.224
flat angles P-C4'-P energy: -58.447
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -738.865146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.865146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.865146 (E_RNA)
where:
Base-Base interactions energy: -406.017
where: short stacking energy: -199.532
Base-Backbone interact. energy: -1.509
local terms energy: -331.338757
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -94.944
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -520.215302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.215302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.215302 (E_RNA)
where:
Base-Base interactions energy: -257.595
where: short stacking energy: -149.479
Base-Backbone interact. energy: 0.444
local terms energy: -263.064482
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -80.403
flat angles P-C4'-P energy: -48.972
tors. eta vs tors. theta energy: 20.829
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: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1926.866825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.866825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.866825 (E_RNA)
where:
Base-Base interactions energy: -1346.480
where: short stacking energy: -572.898
Base-Backbone interact. energy: -3.128
local terms energy: -577.259207
where:
bonds (distance) C4'-P energy: -97.688
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -119.577
flat angles P-C4'-P energy: -97.964
tors. eta vs tors. theta energy: -164.824
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: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1823.851190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.851190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.851190 (E_RNA)
where:
Base-Base interactions energy: -1267.297
where: short stacking energy: -550.597
Base-Backbone interact. energy: -2.033
local terms energy: -554.521126
where:
bonds (distance) C4'-P energy: -112.071
bonds (distance) P-C4' energy: -95.949
flat angles C4'-P-C4' energy: -114.720
flat angles P-C4'-P energy: -76.656
tors. eta vs tors. theta energy: -155.125
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1728.995801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.995801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.995801 (E_RNA)
where:
Base-Base interactions energy: -1164.264
where: short stacking energy: -522.067
Base-Backbone interact. energy: -1.843
local terms energy: -562.888514
where:
bonds (distance) C4'-P energy: -98.304
bonds (distance) P-C4' energy: -98.287
flat angles C4'-P-C4' energy: -123.382
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -159.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1761.023099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.023099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.023099 (E_RNA)
where:
Base-Base interactions energy: -1226.723
where: short stacking energy: -517.081
Base-Backbone interact. energy: 1.628
local terms energy: -535.928869
where:
bonds (distance) C4'-P energy: -98.619
bonds (distance) P-C4' energy: -99.453
flat angles C4'-P-C4' energy: -111.711
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -153.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1612.734238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.734238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.734238 (E_RNA)
where:
Base-Base interactions energy: -1121.117
where: short stacking energy: -485.682
Base-Backbone interact. energy: -1.089
local terms energy: -490.528845
where:
bonds (distance) C4'-P energy: -91.383
bonds (distance) P-C4' energy: -80.085
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -73.171
tors. eta vs tors. theta energy: -130.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1532.043040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.043040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.043040 (E_RNA)
where:
Base-Base interactions energy: -1044.483
where: short stacking energy: -444.221
Base-Backbone interact. energy: 0.218
local terms energy: -487.777522
where:
bonds (distance) C4'-P energy: -93.588
bonds (distance) P-C4' energy: -91.235
flat angles C4'-P-C4' energy: -109.033
flat angles P-C4'-P energy: -68.039
tors. eta vs tors. theta energy: -125.883
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: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1353.408022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.408022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.408022 (E_RNA)
where:
Base-Base interactions energy: -904.906
where: short stacking energy: -389.052
Base-Backbone interact. energy: 0.901
local terms energy: -449.402919
where:
bonds (distance) C4'-P energy: -77.944
bonds (distance) P-C4' energy: -113.678
flat angles C4'-P-C4' energy: -103.744
flat angles P-C4'-P energy: -68.661
tors. eta vs tors. theta energy: -85.375
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: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1194.451391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.451391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.451391 (E_RNA)
where:
Base-Base interactions energy: -784.925
where: short stacking energy: -338.197
Base-Backbone interact. energy: -1.517
local terms energy: -408.009228
where:
bonds (distance) C4'-P energy: -99.109
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -96.399
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -72.632
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: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -741.971126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.971126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.971126 (E_RNA)
where:
Base-Base interactions energy: -400.129
where: short stacking energy: -181.753
Base-Backbone interact. energy: -1.474
local terms energy: -340.367722
where:
bonds (distance) C4'-P energy: -92.169
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -99.913
flat angles P-C4'-P energy: -53.396
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -487.656107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.656107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.656107 (E_RNA)
where:
Base-Base interactions energy: -212.266
where: short stacking energy: -143.963
Base-Backbone interact. energy: -0.558
local terms energy: -274.831834
where:
bonds (distance) C4'-P energy: -91.591
bonds (distance) P-C4' energy: -89.565
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: 5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1947.632456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.632456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.632456 (E_RNA)
where:
Base-Base interactions energy: -1333.412
where: short stacking energy: -561.867
Base-Backbone interact. energy: -1.609
local terms energy: -612.611729
where:
bonds (distance) C4'-P energy: -116.545
bonds (distance) P-C4' energy: -118.267
flat angles C4'-P-C4' energy: -122.933
flat angles P-C4'-P energy: -84.788
tors. eta vs tors. theta energy: -170.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1832.871644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.871644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.871644 (E_RNA)
where:
Base-Base interactions energy: -1257.177
where: short stacking energy: -566.054
Base-Backbone interact. energy: 0.286
local terms energy: -575.980824
where:
bonds (distance) C4'-P energy: -109.998
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -115.683
flat angles P-C4'-P energy: -85.979
tors. eta vs tors. theta energy: -160.362
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1811.986462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.986462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.986462 (E_RNA)
where:
Base-Base interactions energy: -1257.094
where: short stacking energy: -560.380
Base-Backbone interact. energy: -1.239
local terms energy: -553.653791
where:
bonds (distance) C4'-P energy: -101.605
bonds (distance) P-C4' energy: -102.268
flat angles C4'-P-C4' energy: -100.856
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -169.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1669.386273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.386273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.386273 (E_RNA)
where:
Base-Base interactions energy: -1149.322
where: short stacking energy: -512.506
Base-Backbone interact. energy: 1.219
local terms energy: -521.283339
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -111.531
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -135.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1619.180059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.180059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.180059 (E_RNA)
where:
Base-Base interactions energy: -1112.457
where: short stacking energy: -484.940
Base-Backbone interact. energy: -1.261
local terms energy: -505.462565
where:
bonds (distance) C4'-P energy: -90.410
bonds (distance) P-C4' energy: -94.892
flat angles C4'-P-C4' energy: -102.678
flat angles P-C4'-P energy: -77.964
tors. eta vs tors. theta energy: -139.519
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: 62
Temperature: 1.150000
Total energy: -1521.662731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.662731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.662731 (E_RNA)
where:
Base-Base interactions energy: -1023.591
where: short stacking energy: -444.536
Base-Backbone interact. energy: -2.297
local terms energy: -495.774194
where:
bonds (distance) C4'-P energy: -96.799
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -73.551
tors. eta vs tors. theta energy: -118.306
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: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1354.346606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.346606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.346606 (E_RNA)
where:
Base-Base interactions energy: -879.213
where: short stacking energy: -390.279
Base-Backbone interact. energy: -1.114
local terms energy: -474.019940
where:
bonds (distance) C4'-P energy: -96.255
bonds (distance) P-C4' energy: -100.523
flat angles C4'-P-C4' energy: -93.026
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -111.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1267.773849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.773849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.773849 (E_RNA)
where:
Base-Base interactions energy: -847.283
where: short stacking energy: -348.797
Base-Backbone interact. energy: -2.768
local terms energy: -417.722984
where:
bonds (distance) C4'-P energy: -101.761
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -88.384
flat angles P-C4'-P energy: -70.458
tors. eta vs tors. theta energy: -67.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -727.909486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.909486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.909486 (E_RNA)
where:
Base-Base interactions energy: -397.823
where: short stacking energy: -206.757
Base-Backbone interact. energy: 2.561
local terms energy: -332.646748
where:
bonds (distance) C4'-P energy: -98.020
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -97.650
flat angles P-C4'-P energy: -41.756
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -497.181509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.181509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.181509 (E_RNA)
where:
Base-Base interactions energy: -230.232
where: short stacking energy: -161.769
Base-Backbone interact. energy: -3.908
local terms energy: -263.041247
where:
bonds (distance) C4'-P energy: -76.690
bonds (distance) P-C4' energy: -100.839
flat angles C4'-P-C4' energy: -71.645
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: 20.561
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: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1938.598888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.598888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.598888 (E_RNA)
where:
Base-Base interactions energy: -1323.801
where: short stacking energy: -560.042
Base-Backbone interact. energy: -2.692
local terms energy: -612.106697
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -119.411
flat angles C4'-P-C4' energy: -127.086
flat angles P-C4'-P energy: -87.782
tors. eta vs tors. theta energy: -168.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1801.331913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.331913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.331913 (E_RNA)
where:
Base-Base interactions energy: -1214.004
where: short stacking energy: -544.922
Base-Backbone interact. energy: -0.245
local terms energy: -587.083196
where:
bonds (distance) C4'-P energy: -105.057
bonds (distance) P-C4' energy: -102.829
flat angles C4'-P-C4' energy: -126.049
flat angles P-C4'-P energy: -84.264
tors. eta vs tors. theta energy: -168.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1764.328959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.328959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.328959 (E_RNA)
where:
Base-Base interactions energy: -1207.377
where: short stacking energy: -502.399
Base-Backbone interact. energy: -0.882
local terms energy: -556.070243
where:
bonds (distance) C4'-P energy: -110.739
bonds (distance) P-C4' energy: -101.719
flat angles C4'-P-C4' energy: -119.810
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: -153.699
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: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1669.730498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.730498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.730498 (E_RNA)
where:
Base-Base interactions energy: -1109.876
where: short stacking energy: -488.088
Base-Backbone interact. energy: -0.277
local terms energy: -559.577347
where:
bonds (distance) C4'-P energy: -99.157
bonds (distance) P-C4' energy: -103.143
flat angles C4'-P-C4' energy: -125.030
flat angles P-C4'-P energy: -84.673
tors. eta vs tors. theta energy: -147.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1598.170480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.170480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.170480 (E_RNA)
where:
Base-Base interactions energy: -1080.584
where: short stacking energy: -481.761
Base-Backbone interact. energy: -3.866
local terms energy: -513.720495
where:
bonds (distance) C4'-P energy: -95.386
bonds (distance) P-C4' energy: -90.439
flat angles C4'-P-C4' energy: -109.077
flat angles P-C4'-P energy: -82.790
tors. eta vs tors. theta energy: -136.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1557.095625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.095625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.095625 (E_RNA)
where:
Base-Base interactions energy: -1067.113
where: short stacking energy: -448.188
Base-Backbone interact. energy: -3.220
local terms energy: -486.762381
where:
bonds (distance) C4'-P energy: -84.580
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -109.161
flat angles P-C4'-P energy: -70.525
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: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1363.521088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.521088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.521088 (E_RNA)
where:
Base-Base interactions energy: -889.074
where: short stacking energy: -377.461
Base-Backbone interact. energy: 1.613
local terms energy: -476.060873
where:
bonds (distance) C4'-P energy: -96.337
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -106.734
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -106.324
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1225.353405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.353405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.353405 (E_RNA)
where:
Base-Base interactions energy: -823.794
where: short stacking energy: -339.628
Base-Backbone interact. energy: 1.361
local terms energy: -402.920266
where:
bonds (distance) C4'-P energy: -85.469
bonds (distance) P-C4' energy: -84.866
flat angles C4'-P-C4' energy: -76.783
flat angles P-C4'-P energy: -73.264
tors. eta vs tors. theta energy: -82.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -835.900668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.900668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.900668 (E_RNA)
where:
Base-Base interactions energy: -493.823
where: short stacking energy: -237.370
Base-Backbone interact. energy: 0.876
local terms energy: -342.953724
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -99.078
flat angles C4'-P-C4' energy: -71.265
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -37.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -490.299138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.299138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.299138 (E_RNA)
where:
Base-Base interactions energy: -199.870
where: short stacking energy: -137.626
Base-Backbone interact. energy: 2.896
local terms energy: -293.324827
where:
bonds (distance) C4'-P energy: -84.244
bonds (distance) P-C4' energy: -74.118
flat angles C4'-P-C4' energy: -95.759
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: 7.140
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: 64
Temperature: 0.900000
Total energy: -1916.282514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.282514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.282514 (E_RNA)
where:
Base-Base interactions energy: -1319.760
where: short stacking energy: -565.639
Base-Backbone interact. energy: -2.894
local terms energy: -593.628419
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -107.351
flat angles C4'-P-C4' energy: -123.049
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -171.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1820.899178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.899178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.899178 (E_RNA)
where:
Base-Base interactions energy: -1249.872
where: short stacking energy: -554.855
Base-Backbone interact. energy: -2.169
local terms energy: -568.858047
where:
bonds (distance) C4'-P energy: -98.255
bonds (distance) P-C4' energy: -103.741
flat angles C4'-P-C4' energy: -114.909
flat angles P-C4'-P energy: -92.152
tors. eta vs tors. theta energy: -159.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1788.898108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.898108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.898108 (E_RNA)
where:
Base-Base interactions energy: -1209.470
where: short stacking energy: -538.959
Base-Backbone interact. energy: -1.699
local terms energy: -577.729222
where:
bonds (distance) C4'-P energy: -109.275
bonds (distance) P-C4' energy: -100.349
flat angles C4'-P-C4' energy: -126.843
flat angles P-C4'-P energy: -77.307
tors. eta vs tors. theta energy: -163.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1661.357612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.357612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.357612 (E_RNA)
where:
Base-Base interactions energy: -1109.924
where: short stacking energy: -494.711
Base-Backbone interact. energy: 4.863
local terms energy: -556.297124
where:
bonds (distance) C4'-P energy: -103.373
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -110.636
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -154.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1568.936464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.936464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.936464 (E_RNA)
where:
Base-Base interactions energy: -1054.386
where: short stacking energy: -456.064
Base-Backbone interact. energy: -0.413
local terms energy: -514.137026
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -121.724
flat angles P-C4'-P energy: -74.865
tors. eta vs tors. theta energy: -132.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1565.266955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.266955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.266955 (E_RNA)
where:
Base-Base interactions energy: -1080.096
where: short stacking energy: -465.151
Base-Backbone interact. energy: -0.994
local terms energy: -484.177052
where:
bonds (distance) C4'-P energy: -95.470
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -98.375
flat angles P-C4'-P energy: -65.955
tors. eta vs tors. theta energy: -132.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1368.996637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.996637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.996637 (E_RNA)
where:
Base-Base interactions energy: -912.162
where: short stacking energy: -414.874
Base-Backbone interact. energy: 4.628
local terms energy: -461.462393
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -104.622
flat angles P-C4'-P energy: -66.686
tors. eta vs tors. theta energy: -93.947
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1319.392379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.392379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.392379 (E_RNA)
where:
Base-Base interactions energy: -880.273
where: short stacking energy: -393.846
Base-Backbone interact. energy: -0.358
local terms energy: -438.761115
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -102.126
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -102.593
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -844.407320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.407320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.407320 (E_RNA)
where:
Base-Base interactions energy: -516.657
where: short stacking energy: -243.847
Base-Backbone interact. energy: -0.446
local terms energy: -327.304540
where:
bonds (distance) C4'-P energy: -78.512
bonds (distance) P-C4' energy: -83.445
flat angles C4'-P-C4' energy: -87.320
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -33.652
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -548.434679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.434679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.434679 (E_RNA)
where:
Base-Base interactions energy: -273.979
where: short stacking energy: -163.701
Base-Backbone interact. energy: 6.461
local terms energy: -280.916392
where:
bonds (distance) C4'-P energy: -87.723
bonds (distance) P-C4' energy: -68.787
flat angles C4'-P-C4' energy: -77.573
flat angles P-C4'-P energy: -44.821
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1923.332604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.332604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.332604 (E_RNA)
where:
Base-Base interactions energy: -1322.763
where: short stacking energy: -561.802
Base-Backbone interact. energy: -2.638
local terms energy: -597.931563
where:
bonds (distance) C4'-P energy: -105.008
bonds (distance) P-C4' energy: -97.368
flat angles C4'-P-C4' energy: -128.887
flat angles P-C4'-P energy: -93.239
tors. eta vs tors. theta energy: -173.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1826.134887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.134887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.134887 (E_RNA)
where:
Base-Base interactions energy: -1247.692
where: short stacking energy: -551.735
Base-Backbone interact. energy: -3.002
local terms energy: -575.440453
where:
bonds (distance) C4'-P energy: -103.357
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -90.407
tors. eta vs tors. theta energy: -166.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1778.836559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.836559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.836559 (E_RNA)
where:
Base-Base interactions energy: -1202.949
where: short stacking energy: -537.622
Base-Backbone interact. energy: -2.896
local terms energy: -572.990825
where:
bonds (distance) C4'-P energy: -102.270
bonds (distance) P-C4' energy: -87.985
flat angles C4'-P-C4' energy: -124.167
flat angles P-C4'-P energy: -90.933
tors. eta vs tors. theta energy: -167.635
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1693.634399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.634399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.634399 (E_RNA)
where:
Base-Base interactions energy: -1155.078
where: short stacking energy: -534.804
Base-Backbone interact. energy: -2.141
local terms energy: -536.415656
where:
bonds (distance) C4'-P energy: -98.736
bonds (distance) P-C4' energy: -85.732
flat angles C4'-P-C4' energy: -116.798
flat angles P-C4'-P energy: -77.198
tors. eta vs tors. theta energy: -157.951
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: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1635.464870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.464870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.464870 (E_RNA)
where:
Base-Base interactions energy: -1115.357
where: short stacking energy: -509.955
Base-Backbone interact. energy: -0.843
local terms energy: -519.265252
where:
bonds (distance) C4'-P energy: -101.532
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -111.199
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -141.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1565.824888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.824888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.824888 (E_RNA)
where:
Base-Base interactions energy: -1081.232
where: short stacking energy: -457.995
Base-Backbone interact. energy: 0.258
local terms energy: -484.850454
where:
bonds (distance) C4'-P energy: -80.226
bonds (distance) P-C4' energy: -95.829
flat angles C4'-P-C4' energy: -114.984
flat angles P-C4'-P energy: -65.877
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: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1354.176335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.176335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.176335 (E_RNA)
where:
Base-Base interactions energy: -899.269
where: short stacking energy: -385.109
Base-Backbone interact. energy: -4.131
local terms energy: -450.776729
where:
bonds (distance) C4'-P energy: -101.188
bonds (distance) P-C4' energy: -77.617
flat angles C4'-P-C4' energy: -106.113
flat angles P-C4'-P energy: -65.929
tors. eta vs tors. theta energy: -99.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1378.607950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.607950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.607950 (E_RNA)
where:
Base-Base interactions energy: -941.942
where: short stacking energy: -390.691
Base-Backbone interact. energy: -0.901
local terms energy: -435.764908
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -82.121
flat angles C4'-P-C4' energy: -93.740
flat angles P-C4'-P energy: -53.364
tors. eta vs tors. theta energy: -115.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -752.098757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.098757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.098757 (E_RNA)
where:
Base-Base interactions energy: -431.400
where: short stacking energy: -205.710
Base-Backbone interact. energy: -2.545
local terms energy: -318.154238
where:
bonds (distance) C4'-P energy: -95.421
bonds (distance) P-C4' energy: -90.256
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -540.073941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.073941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.073941 (E_RNA)
where:
Base-Base interactions energy: -232.018
where: short stacking energy: -125.171
Base-Backbone interact. energy: 1.171
local terms energy: -309.227446
where:
bonds (distance) C4'-P energy: -91.066
bonds (distance) P-C4' energy: -93.815
flat angles C4'-P-C4' energy: -87.999
flat angles P-C4'-P energy: -47.515
tors. eta vs tors. theta energy: 11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1952.868917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.868917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.868917 (E_RNA)
where:
Base-Base interactions energy: -1360.033
where: short stacking energy: -570.068
Base-Backbone interact. energy: -4.549
local terms energy: -588.287568
where:
bonds (distance) C4'-P energy: -94.700
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -116.708
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -170.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1820.945048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.945048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.945048 (E_RNA)
where:
Base-Base interactions energy: -1231.695
where: short stacking energy: -533.362
Base-Backbone interact. energy: -1.391
local terms energy: -587.859836
where:
bonds (distance) C4'-P energy: -105.919
bonds (distance) P-C4' energy: -119.477
flat angles C4'-P-C4' energy: -123.115
flat angles P-C4'-P energy: -81.576
tors. eta vs tors. theta energy: -157.773
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: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1788.108850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.108850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.108850 (E_RNA)
where:
Base-Base interactions energy: -1224.858
where: short stacking energy: -532.345
Base-Backbone interact. energy: 1.095
local terms energy: -564.345660
where:
bonds (distance) C4'-P energy: -108.259
bonds (distance) P-C4' energy: -90.590
flat angles C4'-P-C4' energy: -107.358
flat angles P-C4'-P energy: -85.681
tors. eta vs tors. theta energy: -172.457
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: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1674.897876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.897876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.897876 (E_RNA)
where:
Base-Base interactions energy: -1119.936
where: short stacking energy: -494.838
Base-Backbone interact. energy: -2.246
local terms energy: -552.715686
where:
bonds (distance) C4'-P energy: -90.945
bonds (distance) P-C4' energy: -106.864
flat angles C4'-P-C4' energy: -121.610
flat angles P-C4'-P energy: -79.352
tors. eta vs tors. theta energy: -153.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1604.289964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.289964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.289964 (E_RNA)
where:
Base-Base interactions energy: -1099.007
where: short stacking energy: -484.980
Base-Backbone interact. energy: -0.353
local terms energy: -504.929574
where:
bonds (distance) C4'-P energy: -89.983
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -113.203
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -133.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1585.845502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.845502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.845502 (E_RNA)
where:
Base-Base interactions energy: -1054.169
where: short stacking energy: -454.418
Base-Backbone interact. energy: -0.773
local terms energy: -530.903429
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -102.837
flat angles C4'-P-C4' energy: -119.860
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -140.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1373.349783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.349783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.349783 (E_RNA)
where:
Base-Base interactions energy: -944.125
where: short stacking energy: -380.136
Base-Backbone interact. energy: -2.767
local terms energy: -426.457372
where:
bonds (distance) C4'-P energy: -74.678
bonds (distance) P-C4' energy: -95.580
flat angles C4'-P-C4' energy: -95.855
flat angles P-C4'-P energy: -57.600
tors. eta vs tors. theta energy: -102.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1332.668340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.668340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.668340 (E_RNA)
where:
Base-Base interactions energy: -906.665
where: short stacking energy: -392.177
Base-Backbone interact. energy: 0.361
local terms energy: -426.364507
where:
bonds (distance) C4'-P energy: -84.427
bonds (distance) P-C4' energy: -95.862
flat angles C4'-P-C4' energy: -92.158
flat angles P-C4'-P energy: -64.334
tors. eta vs tors. theta energy: -89.584
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -775.880816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.880816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.880816 (E_RNA)
where:
Base-Base interactions energy: -442.495
where: short stacking energy: -219.210
Base-Backbone interact. energy: 0.996
local terms energy: -334.381491
where:
bonds (distance) C4'-P energy: -88.649
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -85.624
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -21.737
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: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -546.255760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.255760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.255760 (E_RNA)
where:
Base-Base interactions energy: -247.199
where: short stacking energy: -154.684
Base-Backbone interact. energy: 8.366
local terms energy: -307.422116
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -90.711
flat angles C4'-P-C4' energy: -89.538
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -2.080
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: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1950.763482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.763482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.763482 (E_RNA)
where:
Base-Base interactions energy: -1353.221
where: short stacking energy: -582.713
Base-Backbone interact. energy: -2.046
local terms energy: -595.496768
where:
bonds (distance) C4'-P energy: -106.514
bonds (distance) P-C4' energy: -108.925
flat angles C4'-P-C4' energy: -119.312
flat angles P-C4'-P energy: -84.911
tors. eta vs tors. theta energy: -175.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1836.080532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.080532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.080532 (E_RNA)
where:
Base-Base interactions energy: -1247.779
where: short stacking energy: -551.008
Base-Backbone interact. energy: -3.347
local terms energy: -584.954440
where:
bonds (distance) C4'-P energy: -113.586
bonds (distance) P-C4' energy: -94.195
flat angles C4'-P-C4' energy: -123.053
flat angles P-C4'-P energy: -87.324
tors. eta vs tors. theta energy: -166.797
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: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1754.986999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.986999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.986999 (E_RNA)
where:
Base-Base interactions energy: -1206.120
where: short stacking energy: -524.348
Base-Backbone interact. energy: -0.664
local terms energy: -548.203124
where:
bonds (distance) C4'-P energy: -97.856
bonds (distance) P-C4' energy: -103.029
flat angles C4'-P-C4' energy: -118.012
flat angles P-C4'-P energy: -79.984
tors. eta vs tors. theta energy: -149.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1662.100635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.100635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.100635 (E_RNA)
where:
Base-Base interactions energy: -1125.813
where: short stacking energy: -496.604
Base-Backbone interact. energy: 0.323
local terms energy: -536.610978
where:
bonds (distance) C4'-P energy: -87.802
bonds (distance) P-C4' energy: -108.753
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -140.901
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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1626.889603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.889603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.889603 (E_RNA)
where:
Base-Base interactions energy: -1125.924
where: short stacking energy: -473.116
Base-Backbone interact. energy: 0.251
local terms energy: -501.216264
where:
bonds (distance) C4'-P energy: -89.540
bonds (distance) P-C4' energy: -109.451
flat angles C4'-P-C4' energy: -111.053
flat angles P-C4'-P energy: -58.729
tors. eta vs tors. theta energy: -132.444
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: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1588.792610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.792610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.792610 (E_RNA)
where:
Base-Base interactions energy: -1084.706
where: short stacking energy: -452.636
Base-Backbone interact. energy: 9.177
local terms energy: -513.264025
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -97.903
flat angles C4'-P-C4' energy: -112.718
flat angles P-C4'-P energy: -75.308
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: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1378.627529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.627529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.627529 (E_RNA)
where:
Base-Base interactions energy: -913.594
where: short stacking energy: -403.979
Base-Backbone interact. energy: -0.857
local terms energy: -464.176020
where:
bonds (distance) C4'-P energy: -89.791
bonds (distance) P-C4' energy: -101.895
flat angles C4'-P-C4' energy: -103.824
flat angles P-C4'-P energy: -59.155
tors. eta vs tors. theta energy: -109.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1331.534909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.534909 (E_RNA)
where:
Base-Base interactions energy: -862.401
where: short stacking energy: -371.824
Base-Backbone interact. energy: -2.510
local terms energy: -466.623955
where:
bonds (distance) C4'-P energy: -99.194
bonds (distance) P-C4' energy: -102.233
flat angles C4'-P-C4' energy: -94.867
flat angles P-C4'-P energy: -74.957
tors. eta vs tors. theta energy: -95.373
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -730.093900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.093900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.093900 (E_RNA)
where:
Base-Base interactions energy: -408.667
where: short stacking energy: -204.063
Base-Backbone interact. energy: 0.978
local terms energy: -322.405050
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -82.454
flat angles C4'-P-C4' energy: -90.672
flat angles P-C4'-P energy: -48.721
tors. eta vs tors. theta energy: -8.047
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -514.500306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.500306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.500306 (E_RNA)
where:
Base-Base interactions energy: -229.906
where: short stacking energy: -177.155
Base-Backbone interact. energy: 4.064
local terms energy: -288.658599
where:
bonds (distance) C4'-P energy: -89.753
bonds (distance) P-C4' energy: -80.408
flat angles C4'-P-C4' energy: -80.712
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: 11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1953.279897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.279897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.279897 (E_RNA)
where:
Base-Base interactions energy: -1364.644
where: short stacking energy: -587.655
Base-Backbone interact. energy: -2.430
local terms energy: -586.205956
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -104.719
flat angles C4'-P-C4' energy: -116.621
flat angles P-C4'-P energy: -91.635
tors. eta vs tors. theta energy: -175.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1803.965506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.965506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.965506 (E_RNA)
where:
Base-Base interactions energy: -1232.532
where: short stacking energy: -547.735
Base-Backbone interact. energy: -3.093
local terms energy: -568.341008
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -118.584
flat angles C4'-P-C4' energy: -118.149
flat angles P-C4'-P energy: -74.571
tors. eta vs tors. theta energy: -162.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1746.437328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.437328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.437328 (E_RNA)
where:
Base-Base interactions energy: -1186.813
where: short stacking energy: -517.628
Base-Backbone interact. energy: -2.384
local terms energy: -557.241007
where:
bonds (distance) C4'-P energy: -110.112
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -115.963
flat angles P-C4'-P energy: -85.118
tors. eta vs tors. theta energy: -153.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1705.485572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.485572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.485572 (E_RNA)
where:
Base-Base interactions energy: -1154.510
where: short stacking energy: -490.543
Base-Backbone interact. energy: -1.812
local terms energy: -549.163944
where:
bonds (distance) C4'-P energy: -96.890
bonds (distance) P-C4' energy: -98.672
flat angles C4'-P-C4' energy: -126.946
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -147.979
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1621.456539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.456539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.456539 (E_RNA)
where:
Base-Base interactions energy: -1097.520
where: short stacking energy: -471.552
Base-Backbone interact. energy: -1.059
local terms energy: -522.877398
where:
bonds (distance) C4'-P energy: -103.414
bonds (distance) P-C4' energy: -97.106
flat angles C4'-P-C4' energy: -104.629
flat angles P-C4'-P energy: -79.795
tors. eta vs tors. theta energy: -137.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1576.242961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.242961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.242961 (E_RNA)
where:
Base-Base interactions energy: -1061.209
where: short stacking energy: -471.667
Base-Backbone interact. energy: -1.835
local terms energy: -513.199086
where:
bonds (distance) C4'-P energy: -98.937
bonds (distance) P-C4' energy: -104.704
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -66.609
tors. eta vs tors. theta energy: -143.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1353.213820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.213820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.213820 (E_RNA)
where:
Base-Base interactions energy: -894.814
where: short stacking energy: -403.013
Base-Backbone interact. energy: 1.160
local terms energy: -459.559547
where:
bonds (distance) C4'-P energy: -82.083
bonds (distance) P-C4' energy: -97.391
flat angles C4'-P-C4' energy: -113.462
flat angles P-C4'-P energy: -66.207
tors. eta vs tors. theta energy: -100.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1312.291861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.291861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.291861 (E_RNA)
where:
Base-Base interactions energy: -851.827
where: short stacking energy: -375.083
Base-Backbone interact. energy: -1.345
local terms energy: -459.119126
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -94.854
flat angles C4'-P-C4' energy: -101.362
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -94.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -756.000774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.000774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.000774 (E_RNA)
where:
Base-Base interactions energy: -403.041
where: short stacking energy: -216.221
Base-Backbone interact. energy: -0.959
local terms energy: -352.001321
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -95.763
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -49.874
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -485.308999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.308999 (E_RNA)
where:
Base-Base interactions energy: -224.684
where: short stacking energy: -132.305
Base-Backbone interact. energy: 5.878
local terms energy: -266.502782
where:
bonds (distance) C4'-P energy: -75.687
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -67.351
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1942.862748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.862748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.862748 (E_RNA)
where:
Base-Base interactions energy: -1354.690
where: short stacking energy: -599.141
Base-Backbone interact. energy: -3.206
local terms energy: -584.966939
where:
bonds (distance) C4'-P energy: -109.466
bonds (distance) P-C4' energy: -108.884
flat angles C4'-P-C4' energy: -120.769
flat angles P-C4'-P energy: -74.566
tors. eta vs tors. theta energy: -171.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1830.771178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.771178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.771178 (E_RNA)
where:
Base-Base interactions energy: -1253.985
where: short stacking energy: -546.871
Base-Backbone interact. energy: -1.391
local terms energy: -575.395663
where:
bonds (distance) C4'-P energy: -94.886
bonds (distance) P-C4' energy: -117.816
flat angles C4'-P-C4' energy: -115.914
flat angles P-C4'-P energy: -73.339
tors. eta vs tors. theta energy: -173.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1793.858645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.858645 (E_RNA)
where:
Base-Base interactions energy: -1249.548
where: short stacking energy: -548.067
Base-Backbone interact. energy: -0.089
local terms energy: -544.221769
where:
bonds (distance) C4'-P energy: -75.155
bonds (distance) P-C4' energy: -110.159
flat angles C4'-P-C4' energy: -126.037
flat angles P-C4'-P energy: -78.826
tors. eta vs tors. theta energy: -154.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1707.501489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.501489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.501489 (E_RNA)
where:
Base-Base interactions energy: -1183.361
where: short stacking energy: -515.993
Base-Backbone interact. energy: -0.175
local terms energy: -523.965082
where:
bonds (distance) C4'-P energy: -95.123
bonds (distance) P-C4' energy: -103.610
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -143.491
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1633.810347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.810347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.810347 (E_RNA)
where:
Base-Base interactions energy: -1136.974
where: short stacking energy: -513.026
Base-Backbone interact. energy: -1.557
local terms energy: -495.279354
where:
bonds (distance) C4'-P energy: -87.272
bonds (distance) P-C4' energy: -95.128
flat angles C4'-P-C4' energy: -108.520
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -132.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1541.806065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.806065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.806065 (E_RNA)
where:
Base-Base interactions energy: -1043.657
where: short stacking energy: -469.828
Base-Backbone interact. energy: 0.657
local terms energy: -498.806080
where:
bonds (distance) C4'-P energy: -108.910
bonds (distance) P-C4' energy: -92.481
flat angles C4'-P-C4' energy: -101.510
flat angles P-C4'-P energy: -66.190
tors. eta vs tors. theta energy: -129.715
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: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1280.358155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.358155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.358155 (E_RNA)
where:
Base-Base interactions energy: -846.214
where: short stacking energy: -385.081
Base-Backbone interact. energy: 1.603
local terms energy: -435.747516
where:
bonds (distance) C4'-P energy: -93.593
bonds (distance) P-C4' energy: -85.140
flat angles C4'-P-C4' energy: -91.206
flat angles P-C4'-P energy: -58.797
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: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1259.224991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.224991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.224991 (E_RNA)
where:
Base-Base interactions energy: -835.369
where: short stacking energy: -354.771
Base-Backbone interact. energy: -2.724
local terms energy: -421.131190
where:
bonds (distance) C4'-P energy: -95.049
bonds (distance) P-C4' energy: -100.311
flat angles C4'-P-C4' energy: -85.767
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -81.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -754.311810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.311810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.311810 (E_RNA)
where:
Base-Base interactions energy: -429.079
where: short stacking energy: -213.222
Base-Backbone interact. energy: -1.239
local terms energy: -323.993697
where:
bonds (distance) C4'-P energy: -94.659
bonds (distance) P-C4' energy: -77.538
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -513.938402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.938402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.938402 (E_RNA)
where:
Base-Base interactions energy: -212.851
where: short stacking energy: -138.360
Base-Backbone interact. energy: 3.613
local terms energy: -304.700156
where:
bonds (distance) C4'-P energy: -99.882
bonds (distance) P-C4' energy: -94.755
flat angles C4'-P-C4' energy: -85.073
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: 13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1946.323972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.323972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.323972 (E_RNA)
where:
Base-Base interactions energy: -1349.081
where: short stacking energy: -580.712
Base-Backbone interact. energy: -3.162
local terms energy: -594.080204
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -110.458
flat angles C4'-P-C4' energy: -126.914
flat angles P-C4'-P energy: -85.486
tors. eta vs tors. theta energy: -173.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1845.494679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.494679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.494679 (E_RNA)
where:
Base-Base interactions energy: -1240.108
where: short stacking energy: -563.330
Base-Backbone interact. energy: -1.393
local terms energy: -603.994257
where:
bonds (distance) C4'-P energy: -103.351
bonds (distance) P-C4' energy: -119.894
flat angles C4'-P-C4' energy: -118.278
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -170.867
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: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1755.690672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.690672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.690672 (E_RNA)
where:
Base-Base interactions energy: -1185.908
where: short stacking energy: -522.387
Base-Backbone interact. energy: -1.463
local terms energy: -568.319035
where:
bonds (distance) C4'-P energy: -116.333
bonds (distance) P-C4' energy: -107.209
flat angles C4'-P-C4' energy: -115.281
flat angles P-C4'-P energy: -71.206
tors. eta vs tors. theta energy: -158.290
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: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1670.778656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.778656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.778656 (E_RNA)
where:
Base-Base interactions energy: -1147.300
where: short stacking energy: -489.465
Base-Backbone interact. energy: -0.689
local terms energy: -522.789895
where:
bonds (distance) C4'-P energy: -96.447
bonds (distance) P-C4' energy: -117.380
flat angles C4'-P-C4' energy: -104.176
flat angles P-C4'-P energy: -57.529
tors. eta vs tors. theta energy: -147.257
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: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1576.193837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.193837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.193837 (E_RNA)
where:
Base-Base interactions energy: -1090.505
where: short stacking energy: -481.686
Base-Backbone interact. energy: 0.293
local terms energy: -485.981948
where:
bonds (distance) C4'-P energy: -93.359
bonds (distance) P-C4' energy: -84.948
flat angles C4'-P-C4' energy: -112.698
flat angles P-C4'-P energy: -68.794
tors. eta vs tors. theta energy: -126.183
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: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1615.579890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.579890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.579890 (E_RNA)
where:
Base-Base interactions energy: -1117.739
where: short stacking energy: -478.757
Base-Backbone interact. energy: 2.919
local terms energy: -500.760237
where:
bonds (distance) C4'-P energy: -79.805
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -94.394
flat angles P-C4'-P energy: -80.794
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: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1307.384478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.384478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.384478 (E_RNA)
where:
Base-Base interactions energy: -883.555
where: short stacking energy: -369.637
Base-Backbone interact. energy: -0.451
local terms energy: -423.378270
where:
bonds (distance) C4'-P energy: -74.032
bonds (distance) P-C4' energy: -82.567
flat angles C4'-P-C4' energy: -101.529
flat angles P-C4'-P energy: -71.128
tors. eta vs tors. theta energy: -94.122
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: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1323.799007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.799007 (E_RNA)
where:
Base-Base interactions energy: -888.240
where: short stacking energy: -381.494
Base-Backbone interact. energy: 2.125
local terms energy: -437.684392
where:
bonds (distance) C4'-P energy: -94.725
bonds (distance) P-C4' energy: -88.462
flat angles C4'-P-C4' energy: -103.133
flat angles P-C4'-P energy: -64.404
tors. eta vs tors. theta energy: -86.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -753.675843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.675843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.675843 (E_RNA)
where:
Base-Base interactions energy: -429.699
where: short stacking energy: -230.008
Base-Backbone interact. energy: -0.701
local terms energy: -323.275536
where:
bonds (distance) C4'-P energy: -81.666
bonds (distance) P-C4' energy: -79.681
flat angles C4'-P-C4' energy: -79.956
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -37.548
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: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -546.149715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.149715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.149715 (E_RNA)
where:
Base-Base interactions energy: -258.123
where: short stacking energy: -137.021
Base-Backbone interact. energy: -2.357
local terms energy: -285.669166
where:
bonds (distance) C4'-P energy: -68.050
bonds (distance) P-C4' energy: -87.930
flat angles C4'-P-C4' energy: -86.586
flat angles P-C4'-P energy: -54.113
tors. eta vs tors. theta energy: 11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1936.397497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.397497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.397497 (E_RNA)
where:
Base-Base interactions energy: -1343.301
where: short stacking energy: -575.892
Base-Backbone interact. energy: -0.908
local terms energy: -592.188557
where:
bonds (distance) C4'-P energy: -106.441
bonds (distance) P-C4' energy: -116.926
flat angles C4'-P-C4' energy: -116.708
flat angles P-C4'-P energy: -80.840
tors. eta vs tors. theta energy: -171.273
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1873.911634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.911634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.911634 (E_RNA)
where:
Base-Base interactions energy: -1289.240
where: short stacking energy: -559.016
Base-Backbone interact. energy: -0.453
local terms energy: -584.218709
where:
bonds (distance) C4'-P energy: -99.341
bonds (distance) P-C4' energy: -115.160
flat angles C4'-P-C4' energy: -121.152
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -168.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1754.561845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.561845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.561845 (E_RNA)
where:
Base-Base interactions energy: -1188.745
where: short stacking energy: -524.156
Base-Backbone interact. energy: -1.014
local terms energy: -564.802705
where:
bonds (distance) C4'-P energy: -108.955
bonds (distance) P-C4' energy: -107.628
flat angles C4'-P-C4' energy: -115.252
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -151.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1658.823219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.823219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.823219 (E_RNA)
where:
Base-Base interactions energy: -1121.011
where: short stacking energy: -481.084
Base-Backbone interact. energy: 2.013
local terms energy: -539.825546
where:
bonds (distance) C4'-P energy: -107.631
bonds (distance) P-C4' energy: -97.194
flat angles C4'-P-C4' energy: -116.267
flat angles P-C4'-P energy: -73.620
tors. eta vs tors. theta energy: -145.113
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: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1555.345328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.345328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.345328 (E_RNA)
where:
Base-Base interactions energy: -1069.792
where: short stacking energy: -476.710
Base-Backbone interact. energy: -1.312
local terms energy: -484.241403
where:
bonds (distance) C4'-P energy: -98.178
bonds (distance) P-C4' energy: -84.781
flat angles C4'-P-C4' energy: -106.000
flat angles P-C4'-P energy: -66.195
tors. eta vs tors. theta energy: -129.088
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: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1593.873614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.873614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.873614 (E_RNA)
where:
Base-Base interactions energy: -1086.743
where: short stacking energy: -468.066
Base-Backbone interact. energy: -0.759
local terms energy: -506.371192
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -93.611
flat angles C4'-P-C4' energy: -102.628
flat angles P-C4'-P energy: -64.569
tors. eta vs tors. theta energy: -151.074
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1288.200511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.200511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.200511 (E_RNA)
where:
Base-Base interactions energy: -817.393
where: short stacking energy: -360.172
Base-Backbone interact. energy: -1.249
local terms energy: -469.559006
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -93.138
flat angles C4'-P-C4' energy: -107.925
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -90.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1276.128103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.128103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.128103 (E_RNA)
where:
Base-Base interactions energy: -880.020
where: short stacking energy: -359.643
Base-Backbone interact. energy: 2.120
local terms energy: -398.228408
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -84.293
flat angles C4'-P-C4' energy: -99.396
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -69.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -712.705324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.705324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.705324 (E_RNA)
where:
Base-Base interactions energy: -402.352
where: short stacking energy: -217.999
Base-Backbone interact. energy: 1.802
local terms energy: -312.154819
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -93.174
flat angles C4'-P-C4' energy: -88.559
flat angles P-C4'-P energy: -43.083
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -520.557085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.557085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.557085 (E_RNA)
where:
Base-Base interactions energy: -225.109
where: short stacking energy: -147.120
Base-Backbone interact. energy: 2.216
local terms energy: -297.663141
where:
bonds (distance) C4'-P energy: -96.171
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: 5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1942.124991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.124991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.124991 (E_RNA)
where:
Base-Base interactions energy: -1330.621
where: short stacking energy: -559.530
Base-Backbone interact. energy: -0.712
local terms energy: -610.791488
where:
bonds (distance) C4'-P energy: -115.047
bonds (distance) P-C4' energy: -112.214
flat angles C4'-P-C4' energy: -128.998
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -162.927
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: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1871.829155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.829155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.829155 (E_RNA)
where:
Base-Base interactions energy: -1275.842
where: short stacking energy: -540.935
Base-Backbone interact. energy: -0.156
local terms energy: -595.831069
where:
bonds (distance) C4'-P energy: -108.653
bonds (distance) P-C4' energy: -111.602
flat angles C4'-P-C4' energy: -109.400
flat angles P-C4'-P energy: -95.385
tors. eta vs tors. theta energy: -170.791
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: 72
Temperature: 1.000000
Total energy: -1781.165423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.165423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.165423 (E_RNA)
where:
Base-Base interactions energy: -1221.220
where: short stacking energy: -535.344
Base-Backbone interact. energy: 1.368
local terms energy: -561.312786
where:
bonds (distance) C4'-P energy: -99.029
bonds (distance) P-C4' energy: -106.118
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -160.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1655.890937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.890937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.890937 (E_RNA)
where:
Base-Base interactions energy: -1135.103
where: short stacking energy: -503.507
Base-Backbone interact. energy: -1.571
local terms energy: -519.216529
where:
bonds (distance) C4'-P energy: -74.165
bonds (distance) P-C4' energy: -94.073
flat angles C4'-P-C4' energy: -122.403
flat angles P-C4'-P energy: -87.861
tors. eta vs tors. theta energy: -140.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1624.739971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.739971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.739971 (E_RNA)
where:
Base-Base interactions energy: -1103.860
where: short stacking energy: -482.548
Base-Backbone interact. energy: -0.350
local terms energy: -520.529394
where:
bonds (distance) C4'-P energy: -94.513
bonds (distance) P-C4' energy: -101.790
flat angles C4'-P-C4' energy: -116.923
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -134.584
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: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1497.123372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.123372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.123372 (E_RNA)
where:
Base-Base interactions energy: -1005.218
where: short stacking energy: -436.032
Base-Backbone interact. energy: -2.947
local terms energy: -488.958131
where:
bonds (distance) C4'-P energy: -86.385
bonds (distance) P-C4' energy: -98.726
flat angles C4'-P-C4' energy: -107.458
flat angles P-C4'-P energy: -64.603
tors. eta vs tors. theta energy: -131.785
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1347.448805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.448805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.448805 (E_RNA)
where:
Base-Base interactions energy: -892.233
where: short stacking energy: -397.882
Base-Backbone interact. energy: -1.170
local terms energy: -454.046064
where:
bonds (distance) C4'-P energy: -90.589
bonds (distance) P-C4' energy: -94.210
flat angles C4'-P-C4' energy: -103.902
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: -103.984
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1302.195681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.195681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.195681 (E_RNA)
where:
Base-Base interactions energy: -862.424
where: short stacking energy: -388.806
Base-Backbone interact. energy: -0.323
local terms energy: -439.448193
where:
bonds (distance) C4'-P energy: -75.968
bonds (distance) P-C4' energy: -95.339
flat angles C4'-P-C4' energy: -98.008
flat angles P-C4'-P energy: -67.073
tors. eta vs tors. theta energy: -103.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -704.629139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.629139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.629139 (E_RNA)
where:
Base-Base interactions energy: -385.953
where: short stacking energy: -206.064
Base-Backbone interact. energy: -1.841
local terms energy: -316.834853
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -493.414726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.414726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.414726 (E_RNA)
where:
Base-Base interactions energy: -219.260
where: short stacking energy: -126.443
Base-Backbone interact. energy: 5.991
local terms energy: -280.145742
where:
bonds (distance) C4'-P energy: -81.850
bonds (distance) P-C4' energy: -98.604
flat angles C4'-P-C4' energy: -77.359
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: 6.940
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: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1930.160788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.160788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.160788 (E_RNA)
where:
Base-Base interactions energy: -1340.921
where: short stacking energy: -573.349
Base-Backbone interact. energy: -3.653
local terms energy: -585.587215
where:
bonds (distance) C4'-P energy: -103.179
bonds (distance) P-C4' energy: -112.136
flat angles C4'-P-C4' energy: -123.066
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -164.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1860.327816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.327816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.327816 (E_RNA)
where:
Base-Base interactions energy: -1265.645
where: short stacking energy: -547.541
Base-Backbone interact. energy: -3.933
local terms energy: -590.749684
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -112.158
flat angles C4'-P-C4' energy: -115.398
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -174.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1729.975301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.975301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.975301 (E_RNA)
where:
Base-Base interactions energy: -1144.516
where: short stacking energy: -492.198
Base-Backbone interact. energy: -4.927
local terms energy: -580.532426
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -127.810
flat angles P-C4'-P energy: -78.952
tors. eta vs tors. theta energy: -146.415
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: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1648.170896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.170896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.170896 (E_RNA)
where:
Base-Base interactions energy: -1133.500
where: short stacking energy: -482.434
Base-Backbone interact. energy: -1.209
local terms energy: -513.461868
where:
bonds (distance) C4'-P energy: -103.770
bonds (distance) P-C4' energy: -94.270
flat angles C4'-P-C4' energy: -109.122
flat angles P-C4'-P energy: -71.217
tors. eta vs tors. theta energy: -135.083
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: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1647.796832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.796832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.796832 (E_RNA)
where:
Base-Base interactions energy: -1134.916
where: short stacking energy: -510.582
Base-Backbone interact. energy: -0.088
local terms energy: -512.793173
where:
bonds (distance) C4'-P energy: -75.390
bonds (distance) P-C4' energy: -95.477
flat angles C4'-P-C4' energy: -114.815
flat angles P-C4'-P energy: -73.828
tors. eta vs tors. theta energy: -153.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1502.740200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.740200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.740200 (E_RNA)
where:
Base-Base interactions energy: -1011.879
where: short stacking energy: -429.752
Base-Backbone interact. energy: -1.592
local terms energy: -489.268710
where:
bonds (distance) C4'-P energy: -84.779
bonds (distance) P-C4' energy: -99.576
flat angles C4'-P-C4' energy: -113.293
flat angles P-C4'-P energy: -71.672
tors. eta vs tors. theta energy: -119.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1297.109577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.109577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.109577 (E_RNA)
where:
Base-Base interactions energy: -847.760
where: short stacking energy: -346.316
Base-Backbone interact. energy: -0.968
local terms energy: -448.381333
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -99.685
flat angles C4'-P-C4' energy: -98.475
flat angles P-C4'-P energy: -72.069
tors. eta vs tors. theta energy: -81.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1264.984482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.984482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.984482 (E_RNA)
where:
Base-Base interactions energy: -828.695
where: short stacking energy: -362.106
Base-Backbone interact. energy: -2.904
local terms energy: -433.386350
where:
bonds (distance) C4'-P energy: -84.684
bonds (distance) P-C4' energy: -100.005
flat angles C4'-P-C4' energy: -99.046
flat angles P-C4'-P energy: -57.578
tors. eta vs tors. theta energy: -92.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -689.967944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.967944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.967944 (E_RNA)
where:
Base-Base interactions energy: -369.941
where: short stacking energy: -218.869
Base-Backbone interact. energy: 1.783
local terms energy: -321.810462
where:
bonds (distance) C4'-P energy: -85.071
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -84.778
flat angles P-C4'-P energy: -44.294
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -497.905809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.905809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.905809 (E_RNA)
where:
Base-Base interactions energy: -201.188
where: short stacking energy: -137.684
Base-Backbone interact. energy: -1.266
local terms energy: -295.451975
where:
bonds (distance) C4'-P energy: -88.050
bonds (distance) P-C4' energy: -98.713
flat angles C4'-P-C4' energy: -64.634
flat angles P-C4'-P energy: -53.593
tors. eta vs tors. theta energy: 9.539
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1928.758602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.758602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.758602 (E_RNA)
where:
Base-Base interactions energy: -1342.035
where: short stacking energy: -564.321
Base-Backbone interact. energy: -4.081
local terms energy: -582.642384
where:
bonds (distance) C4'-P energy: -99.326
bonds (distance) P-C4' energy: -115.625
flat angles C4'-P-C4' energy: -127.365
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -161.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1838.179308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.179308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.179308 (E_RNA)
where:
Base-Base interactions energy: -1244.619
where: short stacking energy: -535.933
Base-Backbone interact. energy: -1.270
local terms energy: -592.290002
where:
bonds (distance) C4'-P energy: -106.422
bonds (distance) P-C4' energy: -104.923
flat angles C4'-P-C4' energy: -127.308
flat angles P-C4'-P energy: -89.076
tors. eta vs tors. theta energy: -164.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1748.206048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.206048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.206048 (E_RNA)
where:
Base-Base interactions energy: -1179.659
where: short stacking energy: -521.817
Base-Backbone interact. energy: -1.051
local terms energy: -567.495232
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -110.521
flat angles C4'-P-C4' energy: -116.312
flat angles P-C4'-P energy: -86.492
tors. eta vs tors. theta energy: -160.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1714.601860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.601860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.601860 (E_RNA)
where:
Base-Base interactions energy: -1173.475
where: short stacking energy: -526.273
Base-Backbone interact. energy: -3.027
local terms energy: -538.099645
where:
bonds (distance) C4'-P energy: -94.061
bonds (distance) P-C4' energy: -106.088
flat angles C4'-P-C4' energy: -110.683
flat angles P-C4'-P energy: -69.321
tors. eta vs tors. theta energy: -157.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1637.651589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.651589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.651589 (E_RNA)
where:
Base-Base interactions energy: -1105.258
where: short stacking energy: -489.172
Base-Backbone interact. energy: -0.254
local terms energy: -532.139758
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -140.816
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: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1471.952951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.952951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.952951 (E_RNA)
where:
Base-Base interactions energy: -986.471
where: short stacking energy: -417.334
Base-Backbone interact. energy: -2.606
local terms energy: -482.875999
where:
bonds (distance) C4'-P energy: -93.041
bonds (distance) P-C4' energy: -91.308
flat angles C4'-P-C4' energy: -105.132
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -121.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1343.142372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.142372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.142372 (E_RNA)
where:
Base-Base interactions energy: -922.315
where: short stacking energy: -411.730
Base-Backbone interact. energy: -1.854
local terms energy: -418.972783
where:
bonds (distance) C4'-P energy: -66.010
bonds (distance) P-C4' energy: -97.654
flat angles C4'-P-C4' energy: -103.111
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -102.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1245.386578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.386578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.386578 (E_RNA)
where:
Base-Base interactions energy: -833.124
where: short stacking energy: -366.491
Base-Backbone interact. energy: 3.906
local terms energy: -416.168748
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -95.025
flat angles C4'-P-C4' energy: -93.093
flat angles P-C4'-P energy: -78.228
tors. eta vs tors. theta energy: -77.374
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -704.220802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.220802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.220802 (E_RNA)
where:
Base-Base interactions energy: -388.848
where: short stacking energy: -189.636
Base-Backbone interact. energy: 7.674
local terms energy: -323.047413
where:
bonds (distance) C4'-P energy: -71.236
bonds (distance) P-C4' energy: -91.298
flat angles C4'-P-C4' energy: -83.132
flat angles P-C4'-P energy: -55.461
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -522.904781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.904781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.904781 (E_RNA)
where:
Base-Base interactions energy: -252.992
where: short stacking energy: -170.221
Base-Backbone interact. energy: -1.474
local terms energy: -268.438790
where:
bonds (distance) C4'-P energy: -87.902
bonds (distance) P-C4' energy: -90.138
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1931.258107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.258107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.258107 (E_RNA)
where:
Base-Base interactions energy: -1314.994
where: short stacking energy: -559.069
Base-Backbone interact. energy: -1.084
local terms energy: -615.179674
where:
bonds (distance) C4'-P energy: -107.198
bonds (distance) P-C4' energy: -116.939
flat angles C4'-P-C4' energy: -131.664
flat angles P-C4'-P energy: -94.689
tors. eta vs tors. theta energy: -164.691
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1835.055112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.055112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.055112 (E_RNA)
where:
Base-Base interactions energy: -1251.109
where: short stacking energy: -553.314
Base-Backbone interact. energy: -3.463
local terms energy: -580.483269
where:
bonds (distance) C4'-P energy: -104.953
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -118.644
flat angles P-C4'-P energy: -83.615
tors. eta vs tors. theta energy: -164.733
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1680.568652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.568652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.568652 (E_RNA)
where:
Base-Base interactions energy: -1154.458
where: short stacking energy: -498.575
Base-Backbone interact. energy: 3.541
local terms energy: -529.651687
where:
bonds (distance) C4'-P energy: -97.407
bonds (distance) P-C4' energy: -114.608
flat angles C4'-P-C4' energy: -114.426
flat angles P-C4'-P energy: -63.995
tors. eta vs tors. theta energy: -139.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1682.400497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.400497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.400497 (E_RNA)
where:
Base-Base interactions energy: -1146.640
where: short stacking energy: -493.699
Base-Backbone interact. energy: 1.026
local terms energy: -536.787406
where:
bonds (distance) C4'-P energy: -88.700
bonds (distance) P-C4' energy: -104.843
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -74.830
tors. eta vs tors. theta energy: -150.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1612.360731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.360731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.360731 (E_RNA)
where:
Base-Base interactions energy: -1093.359
where: short stacking energy: -494.102
Base-Backbone interact. energy: -1.964
local terms energy: -517.037598
where:
bonds (distance) C4'-P energy: -104.334
bonds (distance) P-C4' energy: -102.817
flat angles C4'-P-C4' energy: -96.042
flat angles P-C4'-P energy: -68.170
tors. eta vs tors. theta energy: -145.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1475.304259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.304259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.304259 (E_RNA)
where:
Base-Base interactions energy: -991.392
where: short stacking energy: -428.775
Base-Backbone interact. energy: -0.878
local terms energy: -483.034460
where:
bonds (distance) C4'-P energy: -101.770
bonds (distance) P-C4' energy: -102.635
flat angles C4'-P-C4' energy: -103.102
flat angles P-C4'-P energy: -66.404
tors. eta vs tors. theta energy: -109.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1339.688933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.688933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.688933 (E_RNA)
where:
Base-Base interactions energy: -920.590
where: short stacking energy: -402.192
Base-Backbone interact. energy: -1.545
local terms energy: -417.553885
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -92.961
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -94.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1295.563833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.563833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.563833 (E_RNA)
where:
Base-Base interactions energy: -869.966
where: short stacking energy: -369.661
Base-Backbone interact. energy: -0.434
local terms energy: -425.164451
where:
bonds (distance) C4'-P energy: -94.946
bonds (distance) P-C4' energy: -90.053
flat angles C4'-P-C4' energy: -89.357
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -90.963
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: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -741.535247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.535247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.535247 (E_RNA)
where:
Base-Base interactions energy: -407.589
where: short stacking energy: -222.082
Base-Backbone interact. energy: -0.008
local terms energy: -333.938586
where:
bonds (distance) C4'-P energy: -79.046
bonds (distance) P-C4' energy: -85.739
flat angles C4'-P-C4' energy: -92.508
flat angles P-C4'-P energy: -52.783
tors. eta vs tors. theta energy: -23.862
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -547.778411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.778411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.778411 (E_RNA)
where:
Base-Base interactions energy: -235.861
where: short stacking energy: -154.582
Base-Backbone interact. energy: 2.791
local terms energy: -314.708311
where:
bonds (distance) C4'-P energy: -99.210
bonds (distance) P-C4' energy: -91.028
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -57.487
tors. eta vs tors. theta energy: -4.436
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: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1917.077622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.077622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.077622 (E_RNA)
where:
Base-Base interactions energy: -1314.532
where: short stacking energy: -568.072
Base-Backbone interact. energy: -3.730
local terms energy: -598.816125
where:
bonds (distance) C4'-P energy: -115.947
bonds (distance) P-C4' energy: -105.093
flat angles C4'-P-C4' energy: -124.861
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -168.068
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1823.698271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.698271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.698271 (E_RNA)
where:
Base-Base interactions energy: -1262.377
where: short stacking energy: -545.391
Base-Backbone interact. energy: -4.902
local terms energy: -556.419214
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -88.597
flat angles C4'-P-C4' energy: -120.620
flat angles P-C4'-P energy: -77.019
tors. eta vs tors. theta energy: -165.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1748.816038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.816038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.816038 (E_RNA)
where:
Base-Base interactions energy: -1195.340
where: short stacking energy: -537.405
Base-Backbone interact. energy: -1.091
local terms energy: -552.384824
where:
bonds (distance) C4'-P energy: -93.522
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -107.176
flat angles P-C4'-P energy: -86.029
tors. eta vs tors. theta energy: -161.139
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: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1702.152672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.152672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.152672 (E_RNA)
where:
Base-Base interactions energy: -1165.918
where: short stacking energy: -515.041
Base-Backbone interact. energy: -2.671
local terms energy: -533.563854
where:
bonds (distance) C4'-P energy: -95.342
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -79.693
tors. eta vs tors. theta energy: -157.394
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: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1614.938641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.938641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.938641 (E_RNA)
where:
Base-Base interactions energy: -1088.358
where: short stacking energy: -508.736
Base-Backbone interact. energy: -1.619
local terms energy: -524.961503
where:
bonds (distance) C4'-P energy: -103.156
bonds (distance) P-C4' energy: -92.052
flat angles C4'-P-C4' energy: -113.896
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: -138.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1506.735006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.735006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.735006 (E_RNA)
where:
Base-Base interactions energy: -1012.154
where: short stacking energy: -428.096
Base-Backbone interact. energy: -2.905
local terms energy: -491.675754
where:
bonds (distance) C4'-P energy: -103.511
bonds (distance) P-C4' energy: -101.096
flat angles C4'-P-C4' energy: -99.634
flat angles P-C4'-P energy: -61.857
tors. eta vs tors. theta energy: -125.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1342.265356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.265356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.265356 (E_RNA)
where:
Base-Base interactions energy: -922.022
where: short stacking energy: -401.898
Base-Backbone interact. energy: -2.471
local terms energy: -417.773103
where:
bonds (distance) C4'-P energy: -86.264
bonds (distance) P-C4' energy: -85.498
flat angles C4'-P-C4' energy: -100.246
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -76.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1370.797382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.797382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.797382 (E_RNA)
where:
Base-Base interactions energy: -921.834
where: short stacking energy: -407.957
Base-Backbone interact. energy: -0.281
local terms energy: -448.682792
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -98.732
flat angles C4'-P-C4' energy: -95.199
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -104.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -708.701575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.701575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.701575 (E_RNA)
where:
Base-Base interactions energy: -404.468
where: short stacking energy: -236.833
Base-Backbone interact. energy: 0.952
local terms energy: -305.185572
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -75.238
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -512.011349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.011349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.011349 (E_RNA)
where:
Base-Base interactions energy: -228.480
where: short stacking energy: -160.585
Base-Backbone interact. energy: 5.915
local terms energy: -289.446456
where:
bonds (distance) C4'-P energy: -78.080
bonds (distance) P-C4' energy: -83.677
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: 11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1939.237351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.237351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.237351 (E_RNA)
where:
Base-Base interactions energy: -1335.112
where: short stacking energy: -539.967
Base-Backbone interact. energy: -4.336
local terms energy: -599.789517
where:
bonds (distance) C4'-P energy: -106.850
bonds (distance) P-C4' energy: -113.644
flat angles C4'-P-C4' energy: -127.789
flat angles P-C4'-P energy: -89.653
tors. eta vs tors. theta energy: -161.853
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: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1812.153066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.153066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.153066 (E_RNA)
where:
Base-Base interactions energy: -1245.340
where: short stacking energy: -546.337
Base-Backbone interact. energy: -4.158
local terms energy: -562.654742
where:
bonds (distance) C4'-P energy: -104.491
bonds (distance) P-C4' energy: -101.302
flat angles C4'-P-C4' energy: -109.513
flat angles P-C4'-P energy: -78.609
tors. eta vs tors. theta energy: -168.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1741.717992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.717992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.717992 (E_RNA)
where:
Base-Base interactions energy: -1175.623
where: short stacking energy: -510.586
Base-Backbone interact. energy: 0.190
local terms energy: -566.285656
where:
bonds (distance) C4'-P energy: -101.833
bonds (distance) P-C4' energy: -119.083
flat angles C4'-P-C4' energy: -119.042
flat angles P-C4'-P energy: -74.015
tors. eta vs tors. theta energy: -152.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1685.741670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.741670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.741670 (E_RNA)
where:
Base-Base interactions energy: -1162.505
where: short stacking energy: -493.484
Base-Backbone interact. energy: -1.696
local terms energy: -521.541212
where:
bonds (distance) C4'-P energy: -99.827
bonds (distance) P-C4' energy: -109.196
flat angles C4'-P-C4' energy: -114.248
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -140.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1593.105676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.105676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.105676 (E_RNA)
where:
Base-Base interactions energy: -1088.479
where: short stacking energy: -449.476
Base-Backbone interact. energy: -2.551
local terms energy: -502.076489
where:
bonds (distance) C4'-P energy: -98.928
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -109.918
flat angles P-C4'-P energy: -76.741
tors. eta vs tors. theta energy: -128.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1487.652904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.652904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.652904 (E_RNA)
where:
Base-Base interactions energy: -999.922
where: short stacking energy: -436.934
Base-Backbone interact. energy: -0.727
local terms energy: -487.003603
where:
bonds (distance) C4'-P energy: -90.566
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -102.658
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -118.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1279.500021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.500021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.500021 (E_RNA)
where:
Base-Base interactions energy: -857.918
where: short stacking energy: -370.846
Base-Backbone interact. energy: 2.367
local terms energy: -423.948754
where:
bonds (distance) C4'-P energy: -78.923
bonds (distance) P-C4' energy: -70.821
flat angles C4'-P-C4' energy: -106.440
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: -93.273
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: 77
Temperature: 1.250000
Total energy: -1286.228059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.228059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.228059 (E_RNA)
where:
Base-Base interactions energy: -853.318
where: short stacking energy: -363.415
Base-Backbone interact. energy: 0.426
local terms energy: -433.336155
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -98.272
flat angles C4'-P-C4' energy: -107.058
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: -91.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -731.640950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.640950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.640950 (E_RNA)
where:
Base-Base interactions energy: -411.530
where: short stacking energy: -199.849
Base-Backbone interact. energy: -1.125
local terms energy: -318.986178
where:
bonds (distance) C4'-P energy: -89.322
bonds (distance) P-C4' energy: -106.855
flat angles C4'-P-C4' energy: -77.919
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: -11.898
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -523.771495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.771495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.771495 (E_RNA)
where:
Base-Base interactions energy: -266.018
where: short stacking energy: -156.288
Base-Backbone interact. energy: -2.273
local terms energy: -255.480608
where:
bonds (distance) C4'-P energy: -77.272
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -82.834
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: 12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1950.019350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.019350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.019350 (E_RNA)
where:
Base-Base interactions energy: -1369.986
where: short stacking energy: -567.028
Base-Backbone interact. energy: -3.006
local terms energy: -577.026843
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -98.832
flat angles C4'-P-C4' energy: -116.638
flat angles P-C4'-P energy: -90.431
tors. eta vs tors. theta energy: -165.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1846.862342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.862342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.862342 (E_RNA)
where:
Base-Base interactions energy: -1251.262
where: short stacking energy: -550.851
Base-Backbone interact. energy: -0.766
local terms energy: -594.834226
where:
bonds (distance) C4'-P energy: -93.914
bonds (distance) P-C4' energy: -117.869
flat angles C4'-P-C4' energy: -128.863
flat angles P-C4'-P energy: -83.212
tors. eta vs tors. theta energy: -170.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1746.819267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.819267 (E_RNA)
where:
Base-Base interactions energy: -1201.414
where: short stacking energy: -524.161
Base-Backbone interact. energy: -0.963
local terms energy: -544.441729
where:
bonds (distance) C4'-P energy: -99.370
bonds (distance) P-C4' energy: -100.813
flat angles C4'-P-C4' energy: -116.757
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -149.356
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1677.583153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.583153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.583153 (E_RNA)
where:
Base-Base interactions energy: -1148.786
where: short stacking energy: -519.008
Base-Backbone interact. energy: -0.340
local terms energy: -528.457093
where:
bonds (distance) C4'-P energy: -83.094
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -117.706
flat angles P-C4'-P energy: -90.087
tors. eta vs tors. theta energy: -149.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1597.610818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.610818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.610818 (E_RNA)
where:
Base-Base interactions energy: -1077.271
where: short stacking energy: -464.794
Base-Backbone interact. energy: -0.364
local terms energy: -519.975686
where:
bonds (distance) C4'-P energy: -101.786
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -117.449
flat angles P-C4'-P energy: -74.745
tors. eta vs tors. theta energy: -134.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1469.000779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.000779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.000779 (E_RNA)
where:
Base-Base interactions energy: -988.781
where: short stacking energy: -427.205
Base-Backbone interact. energy: -1.669
local terms energy: -478.551209
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -100.805
flat angles C4'-P-C4' energy: -97.968
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -108.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1382.583957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.583957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.583957 (E_RNA)
where:
Base-Base interactions energy: -919.704
where: short stacking energy: -383.287
Base-Backbone interact. energy: -1.196
local terms energy: -461.683440
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -105.308
flat angles C4'-P-C4' energy: -99.261
flat angles P-C4'-P energy: -77.427
tors. eta vs tors. theta energy: -89.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1227.060726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.060726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.060726 (E_RNA)
where:
Base-Base interactions energy: -815.798
where: short stacking energy: -366.934
Base-Backbone interact. energy: -2.719
local terms energy: -408.543870
where:
bonds (distance) C4'-P energy: -92.158
bonds (distance) P-C4' energy: -74.028
flat angles C4'-P-C4' energy: -90.514
flat angles P-C4'-P energy: -68.381
tors. eta vs tors. theta energy: -83.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -717.906999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.906999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.906999 (E_RNA)
where:
Base-Base interactions energy: -393.821
where: short stacking energy: -214.727
Base-Backbone interact. energy: 0.639
local terms energy: -324.725186
where:
bonds (distance) C4'-P energy: -84.656
bonds (distance) P-C4' energy: -91.122
flat angles C4'-P-C4' energy: -70.696
flat angles P-C4'-P energy: -51.423
tors. eta vs tors. theta energy: -26.828
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -510.988273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.988273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.988273 (E_RNA)
where:
Base-Base interactions energy: -223.913
where: short stacking energy: -143.777
Base-Backbone interact. energy: 0.636
local terms energy: -287.711519
where:
bonds (distance) C4'-P energy: -81.369
bonds (distance) P-C4' energy: -95.689
flat angles C4'-P-C4' energy: -74.370
flat angles P-C4'-P energy: -53.451
tors. eta vs tors. theta energy: 17.167
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: 79
Temperature: 0.900000
Total energy: -1930.274867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.274867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.274867 (E_RNA)
where:
Base-Base interactions energy: -1338.084
where: short stacking energy: -585.902
Base-Backbone interact. energy: -5.555
local terms energy: -586.635378
where:
bonds (distance) C4'-P energy: -108.745
bonds (distance) P-C4' energy: -101.915
flat angles C4'-P-C4' energy: -124.718
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -172.088
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: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1878.994286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.994286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.994286 (E_RNA)
where:
Base-Base interactions energy: -1292.830
where: short stacking energy: -561.447
Base-Backbone interact. energy: -2.375
local terms energy: -583.789809
where:
bonds (distance) C4'-P energy: -97.266
bonds (distance) P-C4' energy: -109.845
flat angles C4'-P-C4' energy: -119.301
flat angles P-C4'-P energy: -81.225
tors. eta vs tors. theta energy: -176.153
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1750.305912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.305912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.305912 (E_RNA)
where:
Base-Base interactions energy: -1180.904
where: short stacking energy: -536.731
Base-Backbone interact. energy: -1.027
local terms energy: -568.375216
where:
bonds (distance) C4'-P energy: -108.109
bonds (distance) P-C4' energy: -91.143
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -92.618
tors. eta vs tors. theta energy: -165.428
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1685.045423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.045423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.045423 (E_RNA)
where:
Base-Base interactions energy: -1153.472
where: short stacking energy: -519.844
Base-Backbone interact. energy: -0.654
local terms energy: -530.918565
where:
bonds (distance) C4'-P energy: -106.602
bonds (distance) P-C4' energy: -90.540
flat angles C4'-P-C4' energy: -110.625
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -147.982
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: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1622.327926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.327926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.327926 (E_RNA)
where:
Base-Base interactions energy: -1130.307
where: short stacking energy: -510.187
Base-Backbone interact. energy: -1.070
local terms energy: -490.951795
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -105.371
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -138.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1405.973332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.973332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.973332 (E_RNA)
where:
Base-Base interactions energy: -962.798
where: short stacking energy: -445.016
Base-Backbone interact. energy: 1.762
local terms energy: -444.937231
where:
bonds (distance) C4'-P energy: -83.118
bonds (distance) P-C4' energy: -86.042
flat angles C4'-P-C4' energy: -103.756
flat angles P-C4'-P energy: -56.493
tors. eta vs tors. theta energy: -115.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1351.913217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.913217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.913217 (E_RNA)
where:
Base-Base interactions energy: -920.128
where: short stacking energy: -431.130
Base-Backbone interact. energy: 3.073
local terms energy: -434.858800
where:
bonds (distance) C4'-P energy: -78.774
bonds (distance) P-C4' energy: -80.542
flat angles C4'-P-C4' energy: -105.079
flat angles P-C4'-P energy: -53.329
tors. eta vs tors. theta energy: -117.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1198.646939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.646939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.646939 (E_RNA)
where:
Base-Base interactions energy: -806.672
where: short stacking energy: -348.605
Base-Backbone interact. energy: 7.542
local terms energy: -399.517130
where:
bonds (distance) C4'-P energy: -82.546
bonds (distance) P-C4' energy: -89.928
flat angles C4'-P-C4' energy: -95.264
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -79.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -681.067058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.067058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.067058 (E_RNA)
where:
Base-Base interactions energy: -381.315
where: short stacking energy: -197.072
Base-Backbone interact. energy: -1.168
local terms energy: -298.583584
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -92.475
flat angles C4'-P-C4' energy: -83.779
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: 13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -482.966821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.966821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.966821 (E_RNA)
where:
Base-Base interactions energy: -212.470
where: short stacking energy: -136.494
Base-Backbone interact. energy: 0.174
local terms energy: -270.671390
where:
bonds (distance) C4'-P energy: -70.395
bonds (distance) P-C4' energy: -94.559
flat angles C4'-P-C4' energy: -91.840
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: 23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1926.136134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.136134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.136134 (E_RNA)
where:
Base-Base interactions energy: -1321.795
where: short stacking energy: -559.067
Base-Backbone interact. energy: -3.784
local terms energy: -600.557477
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -119.794
flat angles C4'-P-C4' energy: -122.106
flat angles P-C4'-P energy: -92.656
tors. eta vs tors. theta energy: -161.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1867.602438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.602438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.602438 (E_RNA)
where:
Base-Base interactions energy: -1263.706
where: short stacking energy: -583.169
Base-Backbone interact. energy: -0.733
local terms energy: -603.163477
where:
bonds (distance) C4'-P energy: -115.051
bonds (distance) P-C4' energy: -110.181
flat angles C4'-P-C4' energy: -125.689
flat angles P-C4'-P energy: -66.325
tors. eta vs tors. theta energy: -185.918
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: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1721.643675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.643675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.643675 (E_RNA)
where:
Base-Base interactions energy: -1178.974
where: short stacking energy: -518.970
Base-Backbone interact. energy: -0.733
local terms energy: -541.937275
where:
bonds (distance) C4'-P energy: -95.469
bonds (distance) P-C4' energy: -96.043
flat angles C4'-P-C4' energy: -113.788
flat angles P-C4'-P energy: -83.235
tors. eta vs tors. theta energy: -153.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1677.536736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.536736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.536736 (E_RNA)
where:
Base-Base interactions energy: -1162.176
where: short stacking energy: -494.986
Base-Backbone interact. energy: -1.775
local terms energy: -513.586233
where:
bonds (distance) C4'-P energy: -87.133
bonds (distance) P-C4' energy: -92.637
flat angles C4'-P-C4' energy: -110.099
flat angles P-C4'-P energy: -79.139
tors. eta vs tors. theta energy: -144.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1600.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.485416 (E_RNA)
where:
Base-Base interactions energy: -1107.617
where: short stacking energy: -487.963
Base-Backbone interact. energy: -0.872
local terms energy: -491.996454
where:
bonds (distance) C4'-P energy: -94.543
bonds (distance) P-C4' energy: -76.915
flat angles C4'-P-C4' energy: -108.009
flat angles P-C4'-P energy: -75.254
tors. eta vs tors. theta energy: -137.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1440.008863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.008863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.008863 (E_RNA)
where:
Base-Base interactions energy: -948.995
where: short stacking energy: -408.786
Base-Backbone interact. energy: -1.818
local terms energy: -489.195758
where:
bonds (distance) C4'-P energy: -98.678
bonds (distance) P-C4' energy: -92.409
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -108.354
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: 80
Temperature: 1.200000
Total energy: -1367.473485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.473485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.473485 (E_RNA)
where:
Base-Base interactions energy: -920.389
where: short stacking energy: -404.169
Base-Backbone interact. energy: -0.932
local terms energy: -446.152656
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -99.468
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -49.494
tors. eta vs tors. theta energy: -104.366
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1266.391623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.391623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.391623 (E_RNA)
where:
Base-Base interactions energy: -852.787
where: short stacking energy: -357.835
Base-Backbone interact. energy: 1.379
local terms energy: -414.983463
where:
bonds (distance) C4'-P energy: -82.116
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -51.457
tors. eta vs tors. theta energy: -82.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -712.269124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.269124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.269124 (E_RNA)
where:
Base-Base interactions energy: -383.505
where: short stacking energy: -209.338
Base-Backbone interact. energy: 0.793
local terms energy: -329.557527
where:
bonds (distance) C4'-P energy: -82.656
bonds (distance) P-C4' energy: -90.991
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -49.740
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -502.852551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.852551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.852551 (E_RNA)
where:
Base-Base interactions energy: -219.103
where: short stacking energy: -131.379
Base-Backbone interact. energy: 1.215
local terms energy: -284.964463
where:
bonds (distance) C4'-P energy: -93.353
bonds (distance) P-C4' energy: -105.248
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: 24.776
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: 81
Temperature: 0.900000
Total energy: -1932.532861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.532861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.532861 (E_RNA)
where:
Base-Base interactions energy: -1331.271
where: short stacking energy: -560.357
Base-Backbone interact. energy: -2.240
local terms energy: -599.022313
where:
bonds (distance) C4'-P energy: -111.389
bonds (distance) P-C4' energy: -102.508
flat angles C4'-P-C4' energy: -119.485
flat angles P-C4'-P energy: -98.281
tors. eta vs tors. theta energy: -167.359
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1849.722152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.722152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.722152 (E_RNA)
where:
Base-Base interactions energy: -1263.270
where: short stacking energy: -553.179
Base-Backbone interact. energy: -4.391
local terms energy: -582.061517
where:
bonds (distance) C4'-P energy: -111.208
bonds (distance) P-C4' energy: -84.859
flat angles C4'-P-C4' energy: -124.710
flat angles P-C4'-P energy: -84.995
tors. eta vs tors. theta energy: -176.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1745.712374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.712374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.712374 (E_RNA)
where:
Base-Base interactions energy: -1176.989
where: short stacking energy: -520.115
Base-Backbone interact. energy: -0.251
local terms energy: -568.472333
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -112.780
flat angles C4'-P-C4' energy: -115.375
flat angles P-C4'-P energy: -81.605
tors. eta vs tors. theta energy: -154.281
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: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1661.382266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.382266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.382266 (E_RNA)
where:
Base-Base interactions energy: -1111.419
where: short stacking energy: -506.398
Base-Backbone interact. energy: -1.000
local terms energy: -548.963661
where:
bonds (distance) C4'-P energy: -104.177
bonds (distance) P-C4' energy: -103.852
flat angles C4'-P-C4' energy: -113.363
flat angles P-C4'-P energy: -77.981
tors. eta vs tors. theta energy: -149.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1615.614401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.614401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.614401 (E_RNA)
where:
Base-Base interactions energy: -1111.386
where: short stacking energy: -474.782
Base-Backbone interact. energy: -0.509
local terms energy: -503.719420
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -84.796
flat angles C4'-P-C4' energy: -103.797
flat angles P-C4'-P energy: -76.315
tors. eta vs tors. theta energy: -138.564
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: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1449.453625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.453625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.453625 (E_RNA)
where:
Base-Base interactions energy: -966.276
where: short stacking energy: -424.990
Base-Backbone interact. energy: 1.383
local terms energy: -484.560595
where:
bonds (distance) C4'-P energy: -91.345
bonds (distance) P-C4' energy: -101.292
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -66.661
tors. eta vs tors. theta energy: -118.392
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: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1429.263514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.263514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.263514 (E_RNA)
where:
Base-Base interactions energy: -973.123
where: short stacking energy: -421.816
Base-Backbone interact. energy: 1.284
local terms energy: -457.425091
where:
bonds (distance) C4'-P energy: -88.532
bonds (distance) P-C4' energy: -84.993
flat angles C4'-P-C4' energy: -103.732
flat angles P-C4'-P energy: -65.223
tors. eta vs tors. theta energy: -114.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1211.956484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.956484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.956484 (E_RNA)
where:
Base-Base interactions energy: -807.062
where: short stacking energy: -337.126
Base-Backbone interact. energy: -2.426
local terms energy: -402.469085
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -96.035
flat angles C4'-P-C4' energy: -88.695
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -80.994
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: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -738.242957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.242957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.242957 (E_RNA)
where:
Base-Base interactions energy: -418.426
where: short stacking energy: -209.185
Base-Backbone interact. energy: -1.011
local terms energy: -318.805993
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -86.884
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -19.133
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: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -505.141047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.141047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.141047 (E_RNA)
where:
Base-Base interactions energy: -209.687
where: short stacking energy: -140.201
Base-Backbone interact. energy: 0.320
local terms energy: -295.774148
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -95.877
flat angles C4'-P-C4' energy: -79.819
flat angles P-C4'-P energy: -37.679
tors. eta vs tors. theta energy: 10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1934.918018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.918018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.918018 (E_RNA)
where:
Base-Base interactions energy: -1367.128
where: short stacking energy: -571.328
Base-Backbone interact. energy: -1.074
local terms energy: -566.716369
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -107.723
flat angles C4'-P-C4' energy: -127.963
flat angles P-C4'-P energy: -67.389
tors. eta vs tors. theta energy: -165.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1863.636590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.636590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.636590 (E_RNA)
where:
Base-Base interactions energy: -1258.258
where: short stacking energy: -548.805
Base-Backbone interact. energy: -3.787
local terms energy: -601.591239
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -109.962
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -89.019
tors. eta vs tors. theta energy: -171.330
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: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1733.616170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.616170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.616170 (E_RNA)
where:
Base-Base interactions energy: -1196.764
where: short stacking energy: -521.795
Base-Backbone interact. energy: -2.924
local terms energy: -533.928655
where:
bonds (distance) C4'-P energy: -95.322
bonds (distance) P-C4' energy: -104.729
flat angles C4'-P-C4' energy: -108.508
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -155.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1677.377368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.377368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.377368 (E_RNA)
where:
Base-Base interactions energy: -1116.892
where: short stacking energy: -480.751
Base-Backbone interact. energy: -2.708
local terms energy: -557.777424
where:
bonds (distance) C4'-P energy: -105.894
bonds (distance) P-C4' energy: -110.129
flat angles C4'-P-C4' energy: -113.338
flat angles P-C4'-P energy: -78.002
tors. eta vs tors. theta energy: -150.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1615.738755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.738755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.738755 (E_RNA)
where:
Base-Base interactions energy: -1100.247
where: short stacking energy: -463.031
Base-Backbone interact. energy: 2.906
local terms energy: -518.398368
where:
bonds (distance) C4'-P energy: -95.447
bonds (distance) P-C4' energy: -112.506
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -135.827
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: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1522.113106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.113106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.113106 (E_RNA)
where:
Base-Base interactions energy: -1027.290
where: short stacking energy: -448.856
Base-Backbone interact. energy: -1.352
local terms energy: -493.471144
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -99.844
flat angles C4'-P-C4' energy: -105.664
flat angles P-C4'-P energy: -67.568
tors. eta vs tors. theta energy: -131.578
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: 82
Temperature: 1.200000
Total energy: -1395.498201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.498201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.498201 (E_RNA)
where:
Base-Base interactions energy: -961.386
where: short stacking energy: -399.577
Base-Backbone interact. energy: 1.057
local terms energy: -435.168805
where:
bonds (distance) C4'-P energy: -82.408
bonds (distance) P-C4' energy: -98.090
flat angles C4'-P-C4' energy: -90.307
flat angles P-C4'-P energy: -61.620
tors. eta vs tors. theta energy: -102.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1231.097334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.097334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.097334 (E_RNA)
where:
Base-Base interactions energy: -811.301
where: short stacking energy: -337.478
Base-Backbone interact. energy: 0.661
local terms energy: -420.456595
where:
bonds (distance) C4'-P energy: -93.660
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -91.125
flat angles P-C4'-P energy: -60.235
tors. eta vs tors. theta energy: -87.127
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: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -744.767630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.767630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.767630 (E_RNA)
where:
Base-Base interactions energy: -397.267
where: short stacking energy: -206.632
Base-Backbone interact. energy: -1.952
local terms energy: -345.547738
where:
bonds (distance) C4'-P energy: -99.872
bonds (distance) P-C4' energy: -96.245
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -57.233
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -484.269280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.269280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.269280 (E_RNA)
where:
Base-Base interactions energy: -209.208
where: short stacking energy: -137.028
Base-Backbone interact. energy: 1.269
local terms energy: -276.329978
where:
bonds (distance) C4'-P energy: -78.290
bonds (distance) P-C4' energy: -100.299
flat angles C4'-P-C4' energy: -58.633
flat angles P-C4'-P energy: -58.216
tors. eta vs tors. theta energy: 19.108
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: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1907.124391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.124391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.124391 (E_RNA)
where:
Base-Base interactions energy: -1301.378
where: short stacking energy: -562.943
Base-Backbone interact. energy: -3.475
local terms energy: -602.271782
where:
bonds (distance) C4'-P energy: -115.362
bonds (distance) P-C4' energy: -108.351
flat angles C4'-P-C4' energy: -120.455
flat angles P-C4'-P energy: -87.043
tors. eta vs tors. theta energy: -171.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1865.486176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.486176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.486176 (E_RNA)
where:
Base-Base interactions energy: -1276.118
where: short stacking energy: -577.840
Base-Backbone interact. energy: -3.267
local terms energy: -586.101327
where:
bonds (distance) C4'-P energy: -98.832
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -122.504
flat angles P-C4'-P energy: -82.315
tors. eta vs tors. theta energy: -178.092
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: 83
Temperature: 1.000000
Total energy: -1766.486450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.486450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.486450 (E_RNA)
where:
Base-Base interactions energy: -1186.925
where: short stacking energy: -521.755
Base-Backbone interact. energy: -2.107
local terms energy: -577.454734
where:
bonds (distance) C4'-P energy: -98.623
bonds (distance) P-C4' energy: -105.602
flat angles C4'-P-C4' energy: -124.299
flat angles P-C4'-P energy: -93.351
tors. eta vs tors. theta energy: -155.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1679.003433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.003433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.003433 (E_RNA)
where:
Base-Base interactions energy: -1151.139
where: short stacking energy: -518.919
Base-Backbone interact. energy: -1.984
local terms energy: -525.880293
where:
bonds (distance) C4'-P energy: -95.434
bonds (distance) P-C4' energy: -90.342
flat angles C4'-P-C4' energy: -119.528
flat angles P-C4'-P energy: -68.700
tors. eta vs tors. theta energy: -151.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1602.596589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.596589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.596589 (E_RNA)
where:
Base-Base interactions energy: -1078.941
where: short stacking energy: -478.877
Base-Backbone interact. energy: -0.079
local terms energy: -523.577093
where:
bonds (distance) C4'-P energy: -105.480
bonds (distance) P-C4' energy: -107.720
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -64.434
tors. eta vs tors. theta energy: -137.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1512.243875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.243875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.243875 (E_RNA)
where:
Base-Base interactions energy: -1027.445
where: short stacking energy: -450.687
Base-Backbone interact. energy: -1.777
local terms energy: -483.021319
where:
bonds (distance) C4'-P energy: -86.073
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -107.153
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -121.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1394.108964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.108964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.108964 (E_RNA)
where:
Base-Base interactions energy: -942.484
where: short stacking energy: -388.408
Base-Backbone interact. energy: -2.017
local terms energy: -449.608175
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -102.149
flat angles C4'-P-C4' energy: -95.557
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -96.788
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: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1182.751563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.751563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.751563 (E_RNA)
where:
Base-Base interactions energy: -783.883
where: short stacking energy: -325.681
Base-Backbone interact. energy: 7.959
local terms energy: -406.827686
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -92.968
flat angles P-C4'-P energy: -65.163
tors. eta vs tors. theta energy: -71.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -778.032963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.032963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.032963 (E_RNA)
where:
Base-Base interactions energy: -416.349
where: short stacking energy: -205.158
Base-Backbone interact. energy: -1.870
local terms energy: -359.814342
where:
bonds (distance) C4'-P energy: -99.756
bonds (distance) P-C4' energy: -95.592
flat angles C4'-P-C4' energy: -104.050
flat angles P-C4'-P energy: -51.483
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -505.314749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.314749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.314749 (E_RNA)
where:
Base-Base interactions energy: -238.695
where: short stacking energy: -146.031
Base-Backbone interact. energy: -4.177
local terms energy: -262.442670
where:
bonds (distance) C4'-P energy: -74.594
bonds (distance) P-C4' energy: -109.855
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: 20.446
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: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1910.989569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.989569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.989569 (E_RNA)
where:
Base-Base interactions energy: -1315.604
where: short stacking energy: -571.790
Base-Backbone interact. energy: -1.924
local terms energy: -593.462229
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -109.394
flat angles C4'-P-C4' energy: -128.043
flat angles P-C4'-P energy: -74.416
tors. eta vs tors. theta energy: -174.279
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1836.267079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.267079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.267079 (E_RNA)
where:
Base-Base interactions energy: -1250.549
where: short stacking energy: -540.260
Base-Backbone interact. energy: -1.887
local terms energy: -583.831117
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -118.153
flat angles P-C4'-P energy: -89.201
tors. eta vs tors. theta energy: -166.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1734.902339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.902339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.902339 (E_RNA)
where:
Base-Base interactions energy: -1190.158
where: short stacking energy: -526.791
Base-Backbone interact. energy: -2.496
local terms energy: -542.248118
where:
bonds (distance) C4'-P energy: -96.793
bonds (distance) P-C4' energy: -91.956
flat angles C4'-P-C4' energy: -117.990
flat angles P-C4'-P energy: -81.443
tors. eta vs tors. theta energy: -154.066
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: 84
Temperature: 1.050000
Total energy: -1681.131055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.131055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.131055 (E_RNA)
where:
Base-Base interactions energy: -1128.497
where: short stacking energy: -494.856
Base-Backbone interact. energy: -1.475
local terms energy: -551.158535
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -116.300
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -152.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1616.198064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.198064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.198064 (E_RNA)
where:
Base-Base interactions energy: -1100.513
where: short stacking energy: -480.455
Base-Backbone interact. energy: 2.506
local terms energy: -518.191463
where:
bonds (distance) C4'-P energy: -107.820
bonds (distance) P-C4' energy: -93.500
flat angles C4'-P-C4' energy: -105.337
flat angles P-C4'-P energy: -71.765
tors. eta vs tors. theta energy: -139.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1518.414951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.414951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.414951 (E_RNA)
where:
Base-Base interactions energy: -1045.932
where: short stacking energy: -440.492
Base-Backbone interact. energy: -0.682
local terms energy: -471.801082
where:
bonds (distance) C4'-P energy: -90.832
bonds (distance) P-C4' energy: -88.458
flat angles C4'-P-C4' energy: -110.205
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -116.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1356.033022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.033022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.033022 (E_RNA)
where:
Base-Base interactions energy: -912.448
where: short stacking energy: -385.022
Base-Backbone interact. energy: 0.211
local terms energy: -443.796032
where:
bonds (distance) C4'-P energy: -88.925
bonds (distance) P-C4' energy: -93.469
flat angles C4'-P-C4' energy: -102.312
flat angles P-C4'-P energy: -61.767
tors. eta vs tors. theta energy: -97.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1184.829530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.829530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.829530 (E_RNA)
where:
Base-Base interactions energy: -756.403
where: short stacking energy: -318.781
Base-Backbone interact. energy: 2.823
local terms energy: -431.249288
where:
bonds (distance) C4'-P energy: -96.788
bonds (distance) P-C4' energy: -101.658
flat angles C4'-P-C4' energy: -100.604
flat angles P-C4'-P energy: -59.841
tors. eta vs tors. theta energy: -72.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -729.535166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.535166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.535166 (E_RNA)
where:
Base-Base interactions energy: -394.978
where: short stacking energy: -207.960
Base-Backbone interact. energy: 3.774
local terms energy: -338.331045
where:
bonds (distance) C4'-P energy: -91.432
bonds (distance) P-C4' energy: -93.351
flat angles C4'-P-C4' energy: -83.302
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -507.445584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.445584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.445584 (E_RNA)
where:
Base-Base interactions energy: -227.929
where: short stacking energy: -136.739
Base-Backbone interact. energy: -1.129
local terms energy: -278.387551
where:
bonds (distance) C4'-P energy: -69.936
bonds (distance) P-C4' energy: -90.509
flat angles C4'-P-C4' energy: -75.273
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1939.809285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.809285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.809285 (E_RNA)
where:
Base-Base interactions energy: -1330.606
where: short stacking energy: -568.296
Base-Backbone interact. energy: -1.360
local terms energy: -607.843718
where:
bonds (distance) C4'-P energy: -115.027
bonds (distance) P-C4' energy: -107.461
flat angles C4'-P-C4' energy: -127.156
flat angles P-C4'-P energy: -88.928
tors. eta vs tors. theta energy: -169.272
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1831.927219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.927219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.927219 (E_RNA)
where:
Base-Base interactions energy: -1265.537
where: short stacking energy: -556.379
Base-Backbone interact. energy: 3.952
local terms energy: -570.342663
where:
bonds (distance) C4'-P energy: -98.782
bonds (distance) P-C4' energy: -99.040
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -168.328
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1766.773527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.773527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.773527 (E_RNA)
where:
Base-Base interactions energy: -1205.414
where: short stacking energy: -534.791
Base-Backbone interact. energy: -2.417
local terms energy: -558.943074
where:
bonds (distance) C4'-P energy: -103.830
bonds (distance) P-C4' energy: -104.592
flat angles C4'-P-C4' energy: -114.320
flat angles P-C4'-P energy: -77.973
tors. eta vs tors. theta energy: -158.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1677.015169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.015169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.015169 (E_RNA)
where:
Base-Base interactions energy: -1156.220
where: short stacking energy: -489.865
Base-Backbone interact. energy: -3.053
local terms energy: -517.741945
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -111.889
flat angles P-C4'-P energy: -73.354
tors. eta vs tors. theta energy: -138.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1663.066495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.066495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.066495 (E_RNA)
where:
Base-Base interactions energy: -1137.778
where: short stacking energy: -507.709
Base-Backbone interact. energy: -3.161
local terms energy: -522.127203
where:
bonds (distance) C4'-P energy: -96.400
bonds (distance) P-C4' energy: -83.704
flat angles C4'-P-C4' energy: -116.798
flat angles P-C4'-P energy: -81.346
tors. eta vs tors. theta energy: -143.879
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: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1513.860874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.860874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.860874 (E_RNA)
where:
Base-Base interactions energy: -1046.958
where: short stacking energy: -440.258
Base-Backbone interact. energy: 0.276
local terms energy: -467.178601
where:
bonds (distance) C4'-P energy: -87.697
bonds (distance) P-C4' energy: -96.655
flat angles C4'-P-C4' energy: -101.630
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -119.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1354.120215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.120215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.120215 (E_RNA)
where:
Base-Base interactions energy: -904.046
where: short stacking energy: -375.452
Base-Backbone interact. energy: -3.105
local terms energy: -446.969559
where:
bonds (distance) C4'-P energy: -85.656
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -98.766
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -96.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1174.502125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.502125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.502125 (E_RNA)
where:
Base-Base interactions energy: -765.719
where: short stacking energy: -312.535
Base-Backbone interact. energy: -2.303
local terms energy: -406.480788
where:
bonds (distance) C4'-P energy: -81.402
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: -68.341
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: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -722.093044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.093044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.093044 (E_RNA)
where:
Base-Base interactions energy: -402.726
where: short stacking energy: -201.417
Base-Backbone interact. energy: 2.150
local terms energy: -321.516315
where:
bonds (distance) C4'-P energy: -90.701
bonds (distance) P-C4' energy: -92.534
flat angles C4'-P-C4' energy: -89.395
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -511.074985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.074985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.074985 (E_RNA)
where:
Base-Base interactions energy: -272.533
where: short stacking energy: -132.701
Base-Backbone interact. energy: -1.866
local terms energy: -236.676037
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -65.609
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: 11.924
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: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1897.285152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.285152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.285152 (E_RNA)
where:
Base-Base interactions energy: -1295.007
where: short stacking energy: -570.972
Base-Backbone interact. energy: -4.825
local terms energy: -597.453824
where:
bonds (distance) C4'-P energy: -119.222
bonds (distance) P-C4' energy: -89.845
flat angles C4'-P-C4' energy: -126.104
flat angles P-C4'-P energy: -89.803
tors. eta vs tors. theta energy: -172.479
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1818.277863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.277863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.277863 (E_RNA)
where:
Base-Base interactions energy: -1236.056
where: short stacking energy: -531.845
Base-Backbone interact. energy: -5.130
local terms energy: -577.092473
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -98.691
flat angles C4'-P-C4' energy: -120.527
flat angles P-C4'-P energy: -88.985
tors. eta vs tors. theta energy: -163.819
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: 86
Temperature: 1.000000
Total energy: -1769.837074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.837074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.837074 (E_RNA)
where:
Base-Base interactions energy: -1183.657
where: short stacking energy: -556.235
Base-Backbone interact. energy: -1.860
local terms energy: -584.320085
where:
bonds (distance) C4'-P energy: -108.140
bonds (distance) P-C4' energy: -111.865
flat angles C4'-P-C4' energy: -116.191
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -162.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1685.573448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.573448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.573448 (E_RNA)
where:
Base-Base interactions energy: -1169.021
where: short stacking energy: -509.164
Base-Backbone interact. energy: 1.230
local terms energy: -517.782708
where:
bonds (distance) C4'-P energy: -93.910
bonds (distance) P-C4' energy: -83.633
flat angles C4'-P-C4' energy: -109.840
flat angles P-C4'-P energy: -79.387
tors. eta vs tors. theta energy: -151.012
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: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1628.294161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.294161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.294161 (E_RNA)
where:
Base-Base interactions energy: -1133.777
where: short stacking energy: -501.065
Base-Backbone interact. energy: -2.600
local terms energy: -491.917597
where:
bonds (distance) C4'-P energy: -80.778
bonds (distance) P-C4' energy: -98.939
flat angles C4'-P-C4' energy: -101.741
flat angles P-C4'-P energy: -69.825
tors. eta vs tors. theta energy: -140.635
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: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1560.016038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.016038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.016038 (E_RNA)
where:
Base-Base interactions energy: -1045.980
where: short stacking energy: -471.532
Base-Backbone interact. energy: -1.503
local terms energy: -512.532897
where:
bonds (distance) C4'-P energy: -105.605
bonds (distance) P-C4' energy: -88.911
flat angles C4'-P-C4' energy: -111.362
flat angles P-C4'-P energy: -65.126
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1358.279866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.279866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.279866 (E_RNA)
where:
Base-Base interactions energy: -923.620
where: short stacking energy: -419.460
Base-Backbone interact. energy: 2.487
local terms energy: -437.146407
where:
bonds (distance) C4'-P energy: -82.415
bonds (distance) P-C4' energy: -92.452
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -64.951
tors. eta vs tors. theta energy: -109.965
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: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1311.791508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.791508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.791508 (E_RNA)
where:
Base-Base interactions energy: -859.325
where: short stacking energy: -369.948
Base-Backbone interact. energy: -4.137
local terms energy: -448.329302
where:
bonds (distance) C4'-P energy: -107.796
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -91.325
flat angles P-C4'-P energy: -59.323
tors. eta vs tors. theta energy: -96.973
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -718.133187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.133187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.133187 (E_RNA)
where:
Base-Base interactions energy: -418.213
where: short stacking energy: -232.448
Base-Backbone interact. energy: -1.402
local terms energy: -298.517998
where:
bonds (distance) C4'-P energy: -74.501
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -505.133953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.133953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.133953 (E_RNA)
where:
Base-Base interactions energy: -217.920
where: short stacking energy: -114.119
Base-Backbone interact. energy: 5.375
local terms energy: -292.589185
where:
bonds (distance) C4'-P energy: -84.685
bonds (distance) P-C4' energy: -98.377
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -54.899
tors. eta vs tors. theta energy: 24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1908.173446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.173446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.173446 (E_RNA)
where:
Base-Base interactions energy: -1323.411
where: short stacking energy: -610.480
Base-Backbone interact. energy: -3.648
local terms energy: -581.114973
where:
bonds (distance) C4'-P energy: -87.803
bonds (distance) P-C4' energy: -103.521
flat angles C4'-P-C4' energy: -122.952
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -184.479
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: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1805.373565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.373565 (E_RNA)
where:
Base-Base interactions energy: -1227.798
where: short stacking energy: -535.427
Base-Backbone interact. energy: -4.154
local terms energy: -573.422056
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -107.055
flat angles C4'-P-C4' energy: -117.741
flat angles P-C4'-P energy: -83.226
tors. eta vs tors. theta energy: -158.463
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: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1744.594317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.594317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.594317 (E_RNA)
where:
Base-Base interactions energy: -1176.888
where: short stacking energy: -556.882
Base-Backbone interact. energy: -0.765
local terms energy: -566.941473
where:
bonds (distance) C4'-P energy: -93.203
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -115.287
flat angles P-C4'-P energy: -78.985
tors. eta vs tors. theta energy: -169.920
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: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1678.014869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.014869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.014869 (E_RNA)
where:
Base-Base interactions energy: -1148.068
where: short stacking energy: -523.269
Base-Backbone interact. energy: -0.861
local terms energy: -529.086232
where:
bonds (distance) C4'-P energy: -94.147
bonds (distance) P-C4' energy: -96.076
flat angles C4'-P-C4' energy: -113.025
flat angles P-C4'-P energy: -81.190
tors. eta vs tors. theta energy: -144.649
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: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1627.269771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.269771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.269771 (E_RNA)
where:
Base-Base interactions energy: -1125.166
where: short stacking energy: -470.450
Base-Backbone interact. energy: -2.428
local terms energy: -499.675544
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -90.006
flat angles C4'-P-C4' energy: -111.911
flat angles P-C4'-P energy: -80.602
tors. eta vs tors. theta energy: -131.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1506.526916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.526916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.526916 (E_RNA)
where:
Base-Base interactions energy: -1045.070
where: short stacking energy: -453.589
Base-Backbone interact. energy: -1.379
local terms energy: -460.078213
where:
bonds (distance) C4'-P energy: -97.173
bonds (distance) P-C4' energy: -85.926
flat angles C4'-P-C4' energy: -104.964
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -117.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1341.640756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.640756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.640756 (E_RNA)
where:
Base-Base interactions energy: -897.079
where: short stacking energy: -384.747
Base-Backbone interact. energy: -0.682
local terms energy: -443.879774
where:
bonds (distance) C4'-P energy: -85.926
bonds (distance) P-C4' energy: -102.421
flat angles C4'-P-C4' energy: -95.964
flat angles P-C4'-P energy: -55.032
tors. eta vs tors. theta energy: -104.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1213.822750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.822750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.822750 (E_RNA)
where:
Base-Base interactions energy: -811.169
where: short stacking energy: -340.240
Base-Backbone interact. energy: 2.024
local terms energy: -404.678093
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -91.565
flat angles P-C4'-P energy: -67.506
tors. eta vs tors. theta energy: -86.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -742.248596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.248596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.248596 (E_RNA)
where:
Base-Base interactions energy: -434.182
where: short stacking energy: -237.833
Base-Backbone interact. energy: 5.270
local terms energy: -313.337416
where:
bonds (distance) C4'-P energy: -89.539
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -73.564
flat angles P-C4'-P energy: -52.134
tors. eta vs tors. theta energy: -23.898
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: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -523.767639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.767639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.767639 (E_RNA)
where:
Base-Base interactions energy: -213.364
where: short stacking energy: -148.861
Base-Backbone interact. energy: -0.256
local terms energy: -310.147374
where:
bonds (distance) C4'-P energy: -84.030
bonds (distance) P-C4' energy: -97.325
flat angles C4'-P-C4' energy: -81.611
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1886.618972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.618972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.618972 (E_RNA)
where:
Base-Base interactions energy: -1305.478
where: short stacking energy: -594.234
Base-Backbone interact. energy: -2.222
local terms energy: -578.919115
where:
bonds (distance) C4'-P energy: -91.085
bonds (distance) P-C4' energy: -105.296
flat angles C4'-P-C4' energy: -133.090
flat angles P-C4'-P energy: -87.070
tors. eta vs tors. theta energy: -162.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1863.548884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.548884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.548884 (E_RNA)
where:
Base-Base interactions energy: -1265.010
where: short stacking energy: -569.140
Base-Backbone interact. energy: -3.592
local terms energy: -594.946841
where:
bonds (distance) C4'-P energy: -107.068
bonds (distance) P-C4' energy: -108.735
flat angles C4'-P-C4' energy: -119.463
flat angles P-C4'-P energy: -84.756
tors. eta vs tors. theta energy: -174.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1763.229244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.229244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.229244 (E_RNA)
where:
Base-Base interactions energy: -1207.414
where: short stacking energy: -546.062
Base-Backbone interact. energy: 4.551
local terms energy: -560.366248
where:
bonds (distance) C4'-P energy: -103.974
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -115.782
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -163.961
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: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1688.646201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.646201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.646201 (E_RNA)
where:
Base-Base interactions energy: -1139.394
where: short stacking energy: -515.984
Base-Backbone interact. energy: -2.543
local terms energy: -546.708529
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -109.972
flat angles C4'-P-C4' energy: -129.771
flat angles P-C4'-P energy: -68.783
tors. eta vs tors. theta energy: -137.334
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: 88
Temperature: 1.100000
Total energy: -1632.057187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.057187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.057187 (E_RNA)
where:
Base-Base interactions energy: -1135.735
where: short stacking energy: -482.849
Base-Backbone interact. energy: -2.129
local terms energy: -494.193256
where:
bonds (distance) C4'-P energy: -103.764
bonds (distance) P-C4' energy: -78.470
flat angles C4'-P-C4' energy: -114.728
flat angles P-C4'-P energy: -64.856
tors. eta vs tors. theta energy: -132.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1515.897730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.897730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.897730 (E_RNA)
where:
Base-Base interactions energy: -1048.095
where: short stacking energy: -438.508
Base-Backbone interact. energy: -3.362
local terms energy: -464.439829
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -90.327
flat angles C4'-P-C4' energy: -101.102
flat angles P-C4'-P energy: -75.155
tors. eta vs tors. theta energy: -106.737
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: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1401.069946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.069946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.069946 (E_RNA)
where:
Base-Base interactions energy: -977.323
where: short stacking energy: -410.488
Base-Backbone interact. energy: -2.091
local terms energy: -421.655964
where:
bonds (distance) C4'-P energy: -61.261
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -60.242
tors. eta vs tors. theta energy: -106.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1293.320849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.320849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.320849 (E_RNA)
where:
Base-Base interactions energy: -877.597
where: short stacking energy: -398.430
Base-Backbone interact. energy: -2.460
local terms energy: -413.263410
where:
bonds (distance) C4'-P energy: -79.580
bonds (distance) P-C4' energy: -78.466
flat angles C4'-P-C4' energy: -98.440
flat angles P-C4'-P energy: -65.494
tors. eta vs tors. theta energy: -91.284
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: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -747.077700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.077700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.077700 (E_RNA)
where:
Base-Base interactions energy: -431.294
where: short stacking energy: -230.081
Base-Backbone interact. energy: 0.599
local terms energy: -316.383410
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -86.193
flat angles C4'-P-C4' energy: -89.188
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -523.169527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.169527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.169527 (E_RNA)
where:
Base-Base interactions energy: -230.984
where: short stacking energy: -162.748
Base-Backbone interact. energy: -2.786
local terms energy: -289.399385
where:
bonds (distance) C4'-P energy: -77.073
bonds (distance) P-C4' energy: -91.770
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -57.294
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1908.189756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.189756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.189756 (E_RNA)
where:
Base-Base interactions energy: -1314.697
where: short stacking energy: -554.911
Base-Backbone interact. energy: -1.084
local terms energy: -592.408854
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -117.261
flat angles P-C4'-P energy: -88.041
tors. eta vs tors. theta energy: -179.790
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1841.624369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.624369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.624369 (E_RNA)
where:
Base-Base interactions energy: -1265.637
where: short stacking energy: -541.402
Base-Backbone interact. energy: -3.568
local terms energy: -572.419436
where:
bonds (distance) C4'-P energy: -105.057
bonds (distance) P-C4' energy: -98.756
flat angles C4'-P-C4' energy: -120.572
flat angles P-C4'-P energy: -81.423
tors. eta vs tors. theta energy: -166.613
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: 89
Temperature: 1.000000
Total energy: -1786.892930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.892930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.892930 (E_RNA)
where:
Base-Base interactions energy: -1203.045
where: short stacking energy: -558.649
Base-Backbone interact. energy: -2.291
local terms energy: -581.556845
where:
bonds (distance) C4'-P energy: -109.916
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -172.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1674.577064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.577064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.577064 (E_RNA)
where:
Base-Base interactions energy: -1162.260
where: short stacking energy: -490.987
Base-Backbone interact. energy: -0.002
local terms energy: -512.315627
where:
bonds (distance) C4'-P energy: -100.998
bonds (distance) P-C4' energy: -92.900
flat angles C4'-P-C4' energy: -113.803
flat angles P-C4'-P energy: -70.363
tors. eta vs tors. theta energy: -134.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1635.757847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.757847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.757847 (E_RNA)
where:
Base-Base interactions energy: -1122.343
where: short stacking energy: -498.876
Base-Backbone interact. energy: -1.181
local terms energy: -512.233982
where:
bonds (distance) C4'-P energy: -75.612
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -116.148
flat angles P-C4'-P energy: -69.707
tors. eta vs tors. theta energy: -144.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1519.693533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.693533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.693533 (E_RNA)
where:
Base-Base interactions energy: -1022.007
where: short stacking energy: -443.418
Base-Backbone interact. energy: -1.447
local terms energy: -496.239715
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -98.282
flat angles C4'-P-C4' energy: -105.940
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -127.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1339.962281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.962281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.962281 (E_RNA)
where:
Base-Base interactions energy: -904.131
where: short stacking energy: -386.866
Base-Backbone interact. energy: 2.184
local terms energy: -438.014599
where:
bonds (distance) C4'-P energy: -83.415
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -95.226
flat angles P-C4'-P energy: -57.606
tors. eta vs tors. theta energy: -107.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1244.747735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.747735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.747735 (E_RNA)
where:
Base-Base interactions energy: -836.289
where: short stacking energy: -349.693
Base-Backbone interact. energy: -1.190
local terms energy: -407.268544
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -91.785
flat angles C4'-P-C4' energy: -100.334
flat angles P-C4'-P energy: -55.321
tors. eta vs tors. theta energy: -90.057
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: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -701.497141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.497141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.497141 (E_RNA)
where:
Base-Base interactions energy: -374.804
where: short stacking energy: -203.739
Base-Backbone interact. energy: -0.349
local terms energy: -326.343608
where:
bonds (distance) C4'-P energy: -99.171
bonds (distance) P-C4' energy: -90.270
flat angles C4'-P-C4' energy: -80.571
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -515.830503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.830503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.830503 (E_RNA)
where:
Base-Base interactions energy: -254.728
where: short stacking energy: -165.223
Base-Backbone interact. energy: 0.482
local terms energy: -261.584802
where:
bonds (distance) C4'-P energy: -76.024
bonds (distance) P-C4' energy: -94.749
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: 12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1897.065921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.065921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.065921 (E_RNA)
where:
Base-Base interactions energy: -1318.234
where: short stacking energy: -567.789
Base-Backbone interact. energy: -1.872
local terms energy: -576.960023
where:
bonds (distance) C4'-P energy: -101.029
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -118.212
flat angles P-C4'-P energy: -83.211
tors. eta vs tors. theta energy: -173.273
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: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1884.531840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.531840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.531840 (E_RNA)
where:
Base-Base interactions energy: -1291.228
where: short stacking energy: -562.406
Base-Backbone interact. energy: -3.264
local terms energy: -590.039884
where:
bonds (distance) C4'-P energy: -99.641
bonds (distance) P-C4' energy: -105.916
flat angles C4'-P-C4' energy: -120.754
flat angles P-C4'-P energy: -90.165
tors. eta vs tors. theta energy: -173.563
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1737.086739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.086739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.086739 (E_RNA)
where:
Base-Base interactions energy: -1179.041
where: short stacking energy: -546.971
Base-Backbone interact. energy: -2.487
local terms energy: -555.558178
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -85.680
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -98.857
tors. eta vs tors. theta energy: -159.894
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: 90
Temperature: 1.050000
Total energy: -1669.530673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.530673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.530673 (E_RNA)
where:
Base-Base interactions energy: -1127.016
where: short stacking energy: -491.852
Base-Backbone interact. energy: -0.481
local terms energy: -542.033389
where:
bonds (distance) C4'-P energy: -112.607
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -109.728
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -141.098
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: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1631.912521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.912521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.912521 (E_RNA)
where:
Base-Base interactions energy: -1106.709
where: short stacking energy: -495.506
Base-Backbone interact. energy: -3.936
local terms energy: -521.267339
where:
bonds (distance) C4'-P energy: -103.028
bonds (distance) P-C4' energy: -80.423
flat angles C4'-P-C4' energy: -115.937
flat angles P-C4'-P energy: -71.435
tors. eta vs tors. theta energy: -150.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1505.228765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.228765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.228765 (E_RNA)
where:
Base-Base interactions energy: -1020.114
where: short stacking energy: -442.285
Base-Backbone interact. energy: -0.944
local terms energy: -484.171114
where:
bonds (distance) C4'-P energy: -89.441
bonds (distance) P-C4' energy: -101.087
flat angles C4'-P-C4' energy: -107.416
flat angles P-C4'-P energy: -68.055
tors. eta vs tors. theta energy: -118.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1357.964429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.964429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.964429 (E_RNA)
where:
Base-Base interactions energy: -891.641
where: short stacking energy: -405.343
Base-Backbone interact. energy: -1.760
local terms energy: -464.563906
where:
bonds (distance) C4'-P energy: -89.985
bonds (distance) P-C4' energy: -89.388
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -68.926
tors. eta vs tors. theta energy: -106.239
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: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1313.762817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.762817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.762817 (E_RNA)
where:
Base-Base interactions energy: -877.988
where: short stacking energy: -375.523
Base-Backbone interact. energy: 2.136
local terms energy: -437.910921
where:
bonds (distance) C4'-P energy: -80.987
bonds (distance) P-C4' energy: -100.898
flat angles C4'-P-C4' energy: -87.063
flat angles P-C4'-P energy: -65.571
tors. eta vs tors. theta energy: -103.393
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: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -758.774730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.774730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.774730 (E_RNA)
where:
Base-Base interactions energy: -443.521
where: short stacking energy: -221.748
Base-Backbone interact. energy: -0.856
local terms energy: -314.397883
where:
bonds (distance) C4'-P energy: -64.825
bonds (distance) P-C4' energy: -99.683
flat angles C4'-P-C4' energy: -78.582
flat angles P-C4'-P energy: -52.683
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -511.756477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.756477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.756477 (E_RNA)
where:
Base-Base interactions energy: -208.093
where: short stacking energy: -130.677
Base-Backbone interact. energy: 3.294
local terms energy: -306.956866
where:
bonds (distance) C4'-P energy: -86.909
bonds (distance) P-C4' energy: -90.042
flat angles C4'-P-C4' energy: -85.672
flat angles P-C4'-P energy: -55.730
tors. eta vs tors. theta energy: 11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1882.601676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.601676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.601676 (E_RNA)
where:
Base-Base interactions energy: -1296.712
where: short stacking energy: -558.875
Base-Backbone interact. energy: -4.604
local terms energy: -581.285203
where:
bonds (distance) C4'-P energy: -109.646
bonds (distance) P-C4' energy: -92.561
flat angles C4'-P-C4' energy: -126.025
flat angles P-C4'-P energy: -81.677
tors. eta vs tors. theta energy: -171.376
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: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1781.357762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.357762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.357762 (E_RNA)
where:
Base-Base interactions energy: -1195.865
where: short stacking energy: -543.448
Base-Backbone interact. energy: -0.903
local terms energy: -584.589488
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -109.136
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -161.353
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1825.166689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.166689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.166689 (E_RNA)
where:
Base-Base interactions energy: -1261.729
where: short stacking energy: -555.217
Base-Backbone interact. energy: -2.930
local terms energy: -560.507927
where:
bonds (distance) C4'-P energy: -97.580
bonds (distance) P-C4' energy: -96.128
flat angles C4'-P-C4' energy: -117.143
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -172.828
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: 91
Temperature: 1.050000
Total energy: -1665.125606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.125606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.125606 (E_RNA)
where:
Base-Base interactions energy: -1140.944
where: short stacking energy: -496.047
Base-Backbone interact. energy: 0.478
local terms energy: -524.659222
where:
bonds (distance) C4'-P energy: -92.000
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -105.509
flat angles P-C4'-P energy: -78.017
tors. eta vs tors. theta energy: -147.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1627.291178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.291178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.291178 (E_RNA)
where:
Base-Base interactions energy: -1091.364
where: short stacking energy: -492.334
Base-Backbone interact. energy: -0.811
local terms energy: -535.115659
where:
bonds (distance) C4'-P energy: -95.947
bonds (distance) P-C4' energy: -107.187
flat angles C4'-P-C4' energy: -118.376
flat angles P-C4'-P energy: -67.389
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1546.058605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.058605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.058605 (E_RNA)
where:
Base-Base interactions energy: -1045.171
where: short stacking energy: -452.276
Base-Backbone interact. energy: -2.005
local terms energy: -498.882605
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -101.433
flat angles C4'-P-C4' energy: -106.561
flat angles P-C4'-P energy: -77.202
tors. eta vs tors. theta energy: -128.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1332.610704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.610704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.610704 (E_RNA)
where:
Base-Base interactions energy: -871.937
where: short stacking energy: -387.455
Base-Backbone interact. energy: -2.447
local terms energy: -458.226407
where:
bonds (distance) C4'-P energy: -85.509
bonds (distance) P-C4' energy: -96.833
flat angles C4'-P-C4' energy: -103.141
flat angles P-C4'-P energy: -63.243
tors. eta vs tors. theta energy: -109.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1393.808841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.808841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.808841 (E_RNA)
where:
Base-Base interactions energy: -916.953
where: short stacking energy: -399.825
Base-Backbone interact. energy: -0.985
local terms energy: -475.870812
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -102.281
flat angles C4'-P-C4' energy: -92.391
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -108.258
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -748.080432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.080432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.080432 (E_RNA)
where:
Base-Base interactions energy: -427.606
where: short stacking energy: -209.597
Base-Backbone interact. energy: -2.962
local terms energy: -317.512881
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -79.665
flat angles P-C4'-P energy: -60.618
tors. eta vs tors. theta energy: -20.103
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: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -518.311619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.311619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.311619 (E_RNA)
where:
Base-Base interactions energy: -237.372
where: short stacking energy: -165.888
Base-Backbone interact. energy: 1.020
local terms energy: -281.959475
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -75.810
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: 5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1894.242656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.242656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.242656 (E_RNA)
where:
Base-Base interactions energy: -1301.972
where: short stacking energy: -567.670
Base-Backbone interact. energy: -4.028
local terms energy: -588.242295
where:
bonds (distance) C4'-P energy: -104.068
bonds (distance) P-C4' energy: -101.007
flat angles C4'-P-C4' energy: -121.964
flat angles P-C4'-P energy: -91.987
tors. eta vs tors. theta energy: -169.216
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: 92
Temperature: 0.950000
Total energy: -1769.307467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.307467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.307467 (E_RNA)
where:
Base-Base interactions energy: -1213.215
where: short stacking energy: -569.138
Base-Backbone interact. energy: -0.913
local terms energy: -555.180139
where:
bonds (distance) C4'-P energy: -105.005
bonds (distance) P-C4' energy: -96.919
flat angles C4'-P-C4' energy: -111.887
flat angles P-C4'-P energy: -84.390
tors. eta vs tors. theta energy: -156.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1826.208100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.208100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.208100 (E_RNA)
where:
Base-Base interactions energy: -1262.358
where: short stacking energy: -549.304
Base-Backbone interact. energy: -1.898
local terms energy: -561.952443
where:
bonds (distance) C4'-P energy: -109.082
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -110.977
flat angles P-C4'-P energy: -75.058
tors. eta vs tors. theta energy: -170.558
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: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1702.209680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.209680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.209680 (E_RNA)
where:
Base-Base interactions energy: -1148.954
where: short stacking energy: -502.747
Base-Backbone interact. energy: -0.139
local terms energy: -553.116433
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -110.717
flat angles C4'-P-C4' energy: -119.033
flat angles P-C4'-P energy: -78.704
tors. eta vs tors. theta energy: -145.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1597.876267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.876267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.876267 (E_RNA)
where:
Base-Base interactions energy: -1092.766
where: short stacking energy: -481.655
Base-Backbone interact. energy: 4.995
local terms energy: -510.105967
where:
bonds (distance) C4'-P energy: -85.819
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -113.142
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -136.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1515.029209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.029209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.029209 (E_RNA)
where:
Base-Base interactions energy: -1048.429
where: short stacking energy: -438.369
Base-Backbone interact. energy: 0.067
local terms energy: -466.667214
where:
bonds (distance) C4'-P energy: -88.869
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -97.556
flat angles P-C4'-P energy: -60.800
tors. eta vs tors. theta energy: -125.669
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: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1358.659134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.659134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.659134 (E_RNA)
where:
Base-Base interactions energy: -904.377
where: short stacking energy: -394.792
Base-Backbone interact. energy: -1.653
local terms energy: -452.628502
where:
bonds (distance) C4'-P energy: -95.572
bonds (distance) P-C4' energy: -93.045
flat angles C4'-P-C4' energy: -93.402
flat angles P-C4'-P energy: -64.517
tors. eta vs tors. theta energy: -106.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1290.713714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.713714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.713714 (E_RNA)
where:
Base-Base interactions energy: -851.263
where: short stacking energy: -369.308
Base-Backbone interact. energy: -2.464
local terms energy: -436.987363
where:
bonds (distance) C4'-P energy: -93.228
bonds (distance) P-C4' energy: -90.478
flat angles C4'-P-C4' energy: -92.936
flat angles P-C4'-P energy: -72.226
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: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -687.789204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.789204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.789204 (E_RNA)
where:
Base-Base interactions energy: -384.778
where: short stacking energy: -192.259
Base-Backbone interact. energy: 2.694
local terms energy: -305.705887
where:
bonds (distance) C4'-P energy: -67.088
bonds (distance) P-C4' energy: -95.496
flat angles C4'-P-C4' energy: -81.843
flat angles P-C4'-P energy: -44.131
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -538.816097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.816097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.816097 (E_RNA)
where:
Base-Base interactions energy: -210.470
where: short stacking energy: -133.675
Base-Backbone interact. energy: -0.726
local terms energy: -327.619555
where:
bonds (distance) C4'-P energy: -93.243
bonds (distance) P-C4' energy: -100.894
flat angles C4'-P-C4' energy: -73.457
flat angles P-C4'-P energy: -65.727
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: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1883.451962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.451962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.451962 (E_RNA)
where:
Base-Base interactions energy: -1306.683
where: short stacking energy: -573.637
Base-Backbone interact. energy: -0.946
local terms energy: -575.822690
where:
bonds (distance) C4'-P energy: -109.735
bonds (distance) P-C4' energy: -98.198
flat angles C4'-P-C4' energy: -117.793
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -168.597
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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1871.222913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.222913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.222913 (E_RNA)
where:
Base-Base interactions energy: -1281.110
where: short stacking energy: -564.071
Base-Backbone interact. energy: -2.108
local terms energy: -588.005094
where:
bonds (distance) C4'-P energy: -109.878
bonds (distance) P-C4' energy: -98.687
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -86.919
tors. eta vs tors. theta energy: -170.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1764.647639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.647639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.647639 (E_RNA)
where:
Base-Base interactions energy: -1178.884
where: short stacking energy: -548.693
Base-Backbone interact. energy: 0.428
local terms energy: -586.190960
where:
bonds (distance) C4'-P energy: -95.291
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -132.437
flat angles P-C4'-P energy: -86.176
tors. eta vs tors. theta energy: -162.240
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: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1694.590455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.590455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.590455 (E_RNA)
where:
Base-Base interactions energy: -1168.226
where: short stacking energy: -523.204
Base-Backbone interact. energy: -1.654
local terms energy: -524.710348
where:
bonds (distance) C4'-P energy: -87.151
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -110.464
flat angles P-C4'-P energy: -66.584
tors. eta vs tors. theta energy: -164.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1603.503738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.503738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.503738 (E_RNA)
where:
Base-Base interactions energy: -1080.617
where: short stacking energy: -460.230
Base-Backbone interact. energy: 0.262
local terms energy: -523.148206
where:
bonds (distance) C4'-P energy: -104.061
bonds (distance) P-C4' energy: -100.857
flat angles C4'-P-C4' energy: -108.612
flat angles P-C4'-P energy: -88.548
tors. eta vs tors. theta energy: -121.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1495.044048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.044048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.044048 (E_RNA)
where:
Base-Base interactions energy: -999.050
where: short stacking energy: -441.863
Base-Backbone interact. energy: -0.071
local terms energy: -495.923710
where:
bonds (distance) C4'-P energy: -85.582
bonds (distance) P-C4' energy: -97.511
flat angles C4'-P-C4' energy: -118.931
flat angles P-C4'-P energy: -63.606
tors. eta vs tors. theta energy: -130.293
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: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1365.197661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.197661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.197661 (E_RNA)
where:
Base-Base interactions energy: -903.773
where: short stacking energy: -378.743
Base-Backbone interact. energy: -1.123
local terms energy: -460.301452
where:
bonds (distance) C4'-P energy: -91.882
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -95.311
flat angles P-C4'-P energy: -69.088
tors. eta vs tors. theta energy: -100.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1307.996929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.996929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.996929 (E_RNA)
where:
Base-Base interactions energy: -852.380
where: short stacking energy: -385.207
Base-Backbone interact. energy: -2.665
local terms energy: -452.952182
where:
bonds (distance) C4'-P energy: -84.569
bonds (distance) P-C4' energy: -95.304
flat angles C4'-P-C4' energy: -108.482
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -98.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -709.987313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.987313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.987313 (E_RNA)
where:
Base-Base interactions energy: -393.595
where: short stacking energy: -204.709
Base-Backbone interact. energy: 1.302
local terms energy: -317.694042
where:
bonds (distance) C4'-P energy: -91.748
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -76.797
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -512.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.588520 (E_RNA)
where:
Base-Base interactions energy: -213.949
where: short stacking energy: -129.144
Base-Backbone interact. energy: 8.516
local terms energy: -307.155758
where:
bonds (distance) C4'-P energy: -80.786
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -89.470
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1904.830904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.830904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.830904 (E_RNA)
where:
Base-Base interactions energy: -1320.130
where: short stacking energy: -569.081
Base-Backbone interact. energy: -1.118
local terms energy: -583.582667
where:
bonds (distance) C4'-P energy: -108.730
bonds (distance) P-C4' energy: -93.500
flat angles C4'-P-C4' energy: -120.197
flat angles P-C4'-P energy: -82.795
tors. eta vs tors. theta energy: -178.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1835.768804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.768804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.768804 (E_RNA)
where:
Base-Base interactions energy: -1256.913
where: short stacking energy: -519.707
Base-Backbone interact. energy: -4.504
local terms energy: -574.351589
where:
bonds (distance) C4'-P energy: -110.719
bonds (distance) P-C4' energy: -105.507
flat angles C4'-P-C4' energy: -117.710
flat angles P-C4'-P energy: -80.341
tors. eta vs tors. theta energy: -160.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1745.963958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.963958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.963958 (E_RNA)
where:
Base-Base interactions energy: -1187.245
where: short stacking energy: -549.920
Base-Backbone interact. energy: 0.701
local terms energy: -559.420048
where:
bonds (distance) C4'-P energy: -92.527
bonds (distance) P-C4' energy: -101.109
flat angles C4'-P-C4' energy: -117.110
flat angles P-C4'-P energy: -86.985
tors. eta vs tors. theta energy: -161.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1700.538994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.538994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.538994 (E_RNA)
where:
Base-Base interactions energy: -1146.668
where: short stacking energy: -495.935
Base-Backbone interact. energy: -3.362
local terms energy: -550.508810
where:
bonds (distance) C4'-P energy: -94.669
bonds (distance) P-C4' energy: -100.960
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -82.510
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1627.107669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.107669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.107669 (E_RNA)
where:
Base-Base interactions energy: -1129.101
where: short stacking energy: -492.847
Base-Backbone interact. energy: 0.313
local terms energy: -498.319942
where:
bonds (distance) C4'-P energy: -109.623
bonds (distance) P-C4' energy: -71.850
flat angles C4'-P-C4' energy: -108.428
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -149.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1522.971003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.971003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.971003 (E_RNA)
where:
Base-Base interactions energy: -1023.697
where: short stacking energy: -453.112
Base-Backbone interact. energy: -4.681
local terms energy: -494.593031
where:
bonds (distance) C4'-P energy: -92.561
bonds (distance) P-C4' energy: -94.690
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -68.149
tors. eta vs tors. theta energy: -131.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1383.081930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.081930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.081930 (E_RNA)
where:
Base-Base interactions energy: -935.590
where: short stacking energy: -397.579
Base-Backbone interact. energy: -0.335
local terms energy: -447.156998
where:
bonds (distance) C4'-P energy: -95.467
bonds (distance) P-C4' energy: -96.678
flat angles C4'-P-C4' energy: -100.817
flat angles P-C4'-P energy: -58.252
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: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1338.440514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.440514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.440514 (E_RNA)
where:
Base-Base interactions energy: -938.413
where: short stacking energy: -402.821
Base-Backbone interact. energy: -1.028
local terms energy: -398.999758
where:
bonds (distance) C4'-P energy: -84.945
bonds (distance) P-C4' energy: -83.470
flat angles C4'-P-C4' energy: -88.392
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -106.442
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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -716.338770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.338770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.338770 (E_RNA)
where:
Base-Base interactions energy: -390.422
where: short stacking energy: -210.978
Base-Backbone interact. energy: 1.027
local terms energy: -326.944302
where:
bonds (distance) C4'-P energy: -61.668
bonds (distance) P-C4' energy: -98.383
flat angles C4'-P-C4' energy: -82.665
flat angles P-C4'-P energy: -62.726
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -533.287987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.287987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.287987 (E_RNA)
where:
Base-Base interactions energy: -241.323
where: short stacking energy: -173.977
Base-Backbone interact. energy: -0.286
local terms energy: -291.678906
where:
bonds (distance) C4'-P energy: -85.172
bonds (distance) P-C4' energy: -95.598
flat angles C4'-P-C4' energy: -75.578
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: 5.158
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: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1888.012220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.012220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.012220 (E_RNA)
where:
Base-Base interactions energy: -1296.508
where: short stacking energy: -568.828
Base-Backbone interact. energy: -2.036
local terms energy: -589.468287
where:
bonds (distance) C4'-P energy: -100.043
bonds (distance) P-C4' energy: -104.801
flat angles C4'-P-C4' energy: -120.486
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -179.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1831.901240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.901240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.901240 (E_RNA)
where:
Base-Base interactions energy: -1262.920
where: short stacking energy: -525.794
Base-Backbone interact. energy: -2.443
local terms energy: -566.537633
where:
bonds (distance) C4'-P energy: -92.051
bonds (distance) P-C4' energy: -104.969
flat angles C4'-P-C4' energy: -122.977
flat angles P-C4'-P energy: -81.664
tors. eta vs tors. theta energy: -164.876
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: 95
Temperature: 1.000000
Total energy: -1733.998811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.998811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.998811 (E_RNA)
where:
Base-Base interactions energy: -1191.636
where: short stacking energy: -529.237
Base-Backbone interact. energy: -1.744
local terms energy: -540.618958
where:
bonds (distance) C4'-P energy: -102.478
bonds (distance) P-C4' energy: -100.934
flat angles C4'-P-C4' energy: -115.551
flat angles P-C4'-P energy: -65.758
tors. eta vs tors. theta energy: -155.898
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1652.992059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.992059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.992059 (E_RNA)
where:
Base-Base interactions energy: -1147.869
where: short stacking energy: -502.772
Base-Backbone interact. energy: -1.037
local terms energy: -504.085622
where:
bonds (distance) C4'-P energy: -86.340
bonds (distance) P-C4' energy: -87.148
flat angles C4'-P-C4' energy: -102.360
flat angles P-C4'-P energy: -79.956
tors. eta vs tors. theta energy: -148.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1624.342325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.342325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.342325 (E_RNA)
where:
Base-Base interactions energy: -1111.733
where: short stacking energy: -489.136
Base-Backbone interact. energy: -2.728
local terms energy: -509.880627
where:
bonds (distance) C4'-P energy: -87.998
bonds (distance) P-C4' energy: -105.272
flat angles C4'-P-C4' energy: -114.249
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -132.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1519.900103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.900103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.900103 (E_RNA)
where:
Base-Base interactions energy: -1041.438
where: short stacking energy: -459.850
Base-Backbone interact. energy: -3.405
local terms energy: -475.056862
where:
bonds (distance) C4'-P energy: -87.137
bonds (distance) P-C4' energy: -84.542
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -69.394
tors. eta vs tors. theta energy: -125.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1389.680061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.680061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.680061 (E_RNA)
where:
Base-Base interactions energy: -930.679
where: short stacking energy: -417.592
Base-Backbone interact. energy: 1.782
local terms energy: -460.783282
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -86.547
flat angles C4'-P-C4' energy: -109.863
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: -102.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1324.417018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.417018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.417018 (E_RNA)
where:
Base-Base interactions energy: -874.731
where: short stacking energy: -371.395
Base-Backbone interact. energy: -2.618
local terms energy: -447.068628
where:
bonds (distance) C4'-P energy: -93.659
bonds (distance) P-C4' energy: -96.418
flat angles C4'-P-C4' energy: -98.085
flat angles P-C4'-P energy: -58.099
tors. eta vs tors. theta energy: -100.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -748.585420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.585420 (E_RNA)
where:
Base-Base interactions energy: -434.074
where: short stacking energy: -226.921
Base-Backbone interact. energy: 1.252
local terms energy: -315.763159
where:
bonds (distance) C4'-P energy: -95.300
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -72.476
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -487.506820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.506820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.506820 (E_RNA)
where:
Base-Base interactions energy: -220.332
where: short stacking energy: -127.956
Base-Backbone interact. energy: -2.228
local terms energy: -264.946718
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -111.464
flat angles C4'-P-C4' energy: -55.383
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: 2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1913.998652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.998652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.998652 (E_RNA)
where:
Base-Base interactions energy: -1290.725
where: short stacking energy: -572.529
Base-Backbone interact. energy: -3.758
local terms energy: -619.515590
where:
bonds (distance) C4'-P energy: -107.163
bonds (distance) P-C4' energy: -117.778
flat angles C4'-P-C4' energy: -124.008
flat angles P-C4'-P energy: -91.040
tors. eta vs tors. theta energy: -179.526
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: 96
Temperature: 0.950000
Total energy: -1854.988827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.988827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.988827 (E_RNA)
where:
Base-Base interactions energy: -1289.804
where: short stacking energy: -540.739
Base-Backbone interact. energy: -1.499
local terms energy: -563.685159
where:
bonds (distance) C4'-P energy: -119.354
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -109.041
flat angles P-C4'-P energy: -76.016
tors. eta vs tors. theta energy: -164.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1744.975248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.975248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.975248 (E_RNA)
where:
Base-Base interactions energy: -1182.183
where: short stacking energy: -548.095
Base-Backbone interact. energy: 0.464
local terms energy: -563.257040
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -119.302
flat angles P-C4'-P energy: -81.081
tors. eta vs tors. theta energy: -165.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1664.891621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.891621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.891621 (E_RNA)
where:
Base-Base interactions energy: -1136.987
where: short stacking energy: -492.728
Base-Backbone interact. energy: -2.293
local terms energy: -525.611394
where:
bonds (distance) C4'-P energy: -104.686
bonds (distance) P-C4' energy: -99.497
flat angles C4'-P-C4' energy: -107.178
flat angles P-C4'-P energy: -68.761
tors. eta vs tors. theta energy: -145.489
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: 96
Temperature: 1.100000
Total energy: -1623.476293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.476293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.476293 (E_RNA)
where:
Base-Base interactions energy: -1097.658
where: short stacking energy: -486.490
Base-Backbone interact. energy: 2.386
local terms energy: -528.205131
where:
bonds (distance) C4'-P energy: -108.060
bonds (distance) P-C4' energy: -96.963
flat angles C4'-P-C4' energy: -114.439
flat angles P-C4'-P energy: -70.787
tors. eta vs tors. theta energy: -137.955
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: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1513.453330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.453330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.453330 (E_RNA)
where:
Base-Base interactions energy: -1017.389
where: short stacking energy: -437.490
Base-Backbone interact. energy: -0.948
local terms energy: -495.116772
where:
bonds (distance) C4'-P energy: -83.764
bonds (distance) P-C4' energy: -103.048
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -75.131
tors. eta vs tors. theta energy: -120.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1374.234140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.234140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.234140 (E_RNA)
where:
Base-Base interactions energy: -950.544
where: short stacking energy: -390.086
Base-Backbone interact. energy: 0.188
local terms energy: -423.878078
where:
bonds (distance) C4'-P energy: -80.912
bonds (distance) P-C4' energy: -87.718
flat angles C4'-P-C4' energy: -83.294
flat angles P-C4'-P energy: -67.077
tors. eta vs tors. theta energy: -104.878
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: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1375.940079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.940079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.940079 (E_RNA)
where:
Base-Base interactions energy: -925.282
where: short stacking energy: -391.010
Base-Backbone interact. energy: -0.667
local terms energy: -449.990997
where:
bonds (distance) C4'-P energy: -78.331
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -114.177
flat angles P-C4'-P energy: -60.703
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: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -705.503586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.503586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.503586 (E_RNA)
where:
Base-Base interactions energy: -385.341
where: short stacking energy: -190.691
Base-Backbone interact. energy: -1.092
local terms energy: -319.069970
where:
bonds (distance) C4'-P energy: -100.345
bonds (distance) P-C4' energy: -81.030
flat angles C4'-P-C4' energy: -72.001
flat angles P-C4'-P energy: -65.810
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -511.016996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.016996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.016996 (E_RNA)
where:
Base-Base interactions energy: -220.432
where: short stacking energy: -156.660
Base-Backbone interact. energy: 2.618
local terms energy: -293.202849
where:
bonds (distance) C4'-P energy: -77.371
bonds (distance) P-C4' energy: -91.217
flat angles C4'-P-C4' energy: -75.155
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: 3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1890.236185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.236185 (E_RNA)
where:
Base-Base interactions energy: -1285.854
where: short stacking energy: -570.762
Base-Backbone interact. energy: -4.671
local terms energy: -599.710980
where:
bonds (distance) C4'-P energy: -106.242
bonds (distance) P-C4' energy: -113.328
flat angles C4'-P-C4' energy: -122.245
flat angles P-C4'-P energy: -85.256
tors. eta vs tors. theta energy: -172.640
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: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1860.250183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.250183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.250183 (E_RNA)
where:
Base-Base interactions energy: -1301.301
where: short stacking energy: -558.284
Base-Backbone interact. energy: -2.093
local terms energy: -556.856364
where:
bonds (distance) C4'-P energy: -98.982
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -121.903
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -166.884
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: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1730.881200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.881200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.881200 (E_RNA)
where:
Base-Base interactions energy: -1168.999
where: short stacking energy: -508.247
Base-Backbone interact. energy: -1.675
local terms energy: -560.206932
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -102.278
flat angles C4'-P-C4' energy: -120.063
flat angles P-C4'-P energy: -80.938
tors. eta vs tors. theta energy: -147.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1681.900678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.900678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.900678 (E_RNA)
where:
Base-Base interactions energy: -1169.526
where: short stacking energy: -505.386
Base-Backbone interact. energy: -1.211
local terms energy: -511.163202
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -82.517
flat angles C4'-P-C4' energy: -109.619
flat angles P-C4'-P energy: -68.499
tors. eta vs tors. theta energy: -156.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1584.809954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.809954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.809954 (E_RNA)
where:
Base-Base interactions energy: -1075.274
where: short stacking energy: -456.641
Base-Backbone interact. energy: 1.891
local terms energy: -511.427106
where:
bonds (distance) C4'-P energy: -95.301
bonds (distance) P-C4' energy: -90.455
flat angles C4'-P-C4' energy: -118.205
flat angles P-C4'-P energy: -70.548
tors. eta vs tors. theta energy: -136.918
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: 97
Temperature: 1.150000
Total energy: -1541.128545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.128545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.128545 (E_RNA)
where:
Base-Base interactions energy: -1037.826
where: short stacking energy: -458.393
Base-Backbone interact. energy: -1.774
local terms energy: -501.528324
where:
bonds (distance) C4'-P energy: -90.898
bonds (distance) P-C4' energy: -101.330
flat angles C4'-P-C4' energy: -103.753
flat angles P-C4'-P energy: -71.879
tors. eta vs tors. theta energy: -133.668
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1356.910940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.910940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.910940 (E_RNA)
where:
Base-Base interactions energy: -937.857
where: short stacking energy: -389.667
Base-Backbone interact. energy: -1.910
local terms energy: -417.144622
where:
bonds (distance) C4'-P energy: -79.969
bonds (distance) P-C4' energy: -94.939
flat angles C4'-P-C4' energy: -93.864
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -98.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1394.675766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.675766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.675766 (E_RNA)
where:
Base-Base interactions energy: -962.723
where: short stacking energy: -424.629
Base-Backbone interact. energy: -2.095
local terms energy: -429.857654
where:
bonds (distance) C4'-P energy: -84.200
bonds (distance) P-C4' energy: -83.459
flat angles C4'-P-C4' energy: -93.273
flat angles P-C4'-P energy: -53.481
tors. eta vs tors. theta energy: -115.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -742.615574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.615574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.615574 (E_RNA)
where:
Base-Base interactions energy: -426.033
where: short stacking energy: -225.102
Base-Backbone interact. energy: 3.611
local terms energy: -320.193691
where:
bonds (distance) C4'-P energy: -68.461
bonds (distance) P-C4' energy: -89.411
flat angles C4'-P-C4' energy: -89.471
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -551.483431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.483431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.483431 (E_RNA)
where:
Base-Base interactions energy: -259.497
where: short stacking energy: -150.314
Base-Backbone interact. energy: 0.827
local terms energy: -292.813434
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -109.277
flat angles C4'-P-C4' energy: -68.592
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: 4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1912.027524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.027524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.027524 (E_RNA)
where:
Base-Base interactions energy: -1301.090
where: short stacking energy: -562.602
Base-Backbone interact. energy: -4.195
local terms energy: -606.742296
where:
bonds (distance) C4'-P energy: -107.759
bonds (distance) P-C4' energy: -110.887
flat angles C4'-P-C4' energy: -125.573
flat angles P-C4'-P energy: -83.872
tors. eta vs tors. theta energy: -178.651
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: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1858.829412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.829412 (E_RNA)
where:
Base-Base interactions energy: -1256.184
where: short stacking energy: -558.779
Base-Backbone interact. energy: -5.276
local terms energy: -597.370086
where:
bonds (distance) C4'-P energy: -110.058
bonds (distance) P-C4' energy: -118.261
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -80.917
tors. eta vs tors. theta energy: -168.673
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1674.878368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.878368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.878368 (E_RNA)
where:
Base-Base interactions energy: -1146.915
where: short stacking energy: -511.669
Base-Backbone interact. energy: -1.303
local terms energy: -526.659779
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -111.990
flat angles C4'-P-C4' energy: -93.920
flat angles P-C4'-P energy: -62.958
tors. eta vs tors. theta energy: -147.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1675.869218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.869218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.869218 (E_RNA)
where:
Base-Base interactions energy: -1119.272
where: short stacking energy: -494.000
Base-Backbone interact. energy: 1.476
local terms energy: -558.073819
where:
bonds (distance) C4'-P energy: -98.704
bonds (distance) P-C4' energy: -107.964
flat angles C4'-P-C4' energy: -121.213
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -152.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1587.536592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.536592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.536592 (E_RNA)
where:
Base-Base interactions energy: -1085.000
where: short stacking energy: -479.617
Base-Backbone interact. energy: 2.369
local terms energy: -504.904765
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -99.839
flat angles C4'-P-C4' energy: -104.962
flat angles P-C4'-P energy: -77.597
tors. eta vs tors. theta energy: -137.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1532.823982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.823982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.823982 (E_RNA)
where:
Base-Base interactions energy: -1034.913
where: short stacking energy: -445.128
Base-Backbone interact. energy: -2.231
local terms energy: -495.679971
where:
bonds (distance) C4'-P energy: -103.050
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -110.999
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -132.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1387.433489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.433489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.433489 (E_RNA)
where:
Base-Base interactions energy: -919.016
where: short stacking energy: -401.358
Base-Backbone interact. energy: 0.365
local terms energy: -468.782600
where:
bonds (distance) C4'-P energy: -94.343
bonds (distance) P-C4' energy: -94.430
flat angles C4'-P-C4' energy: -101.525
flat angles P-C4'-P energy: -78.184
tors. eta vs tors. theta energy: -100.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1274.148525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.148525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.148525 (E_RNA)
where:
Base-Base interactions energy: -862.494
where: short stacking energy: -388.097
Base-Backbone interact. energy: 2.758
local terms energy: -414.413095
where:
bonds (distance) C4'-P energy: -94.478
bonds (distance) P-C4' energy: -89.422
flat angles C4'-P-C4' energy: -90.912
flat angles P-C4'-P energy: -46.775
tors. eta vs tors. theta energy: -92.826
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: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -729.741361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.741361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.741361 (E_RNA)
where:
Base-Base interactions energy: -381.835
where: short stacking energy: -221.766
Base-Backbone interact. energy: 2.490
local terms energy: -350.396490
where:
bonds (distance) C4'-P energy: -78.151
bonds (distance) P-C4' energy: -94.273
flat angles C4'-P-C4' energy: -94.620
flat angles P-C4'-P energy: -52.432
tors. eta vs tors. theta energy: -30.920
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -564.799136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.799136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.799136 (E_RNA)
where:
Base-Base interactions energy: -280.653
where: short stacking energy: -164.270
Base-Backbone interact. energy: 4.787
local terms energy: -288.933457
where:
bonds (distance) C4'-P energy: -68.421
bonds (distance) P-C4' energy: -83.821
flat angles C4'-P-C4' energy: -87.151
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1906.606412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.606412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.606412 (E_RNA)
where:
Base-Base interactions energy: -1321.919
where: short stacking energy: -578.252
Base-Backbone interact. energy: -0.500
local terms energy: -584.188053
where:
bonds (distance) C4'-P energy: -102.283
bonds (distance) P-C4' energy: -107.156
flat angles C4'-P-C4' energy: -116.269
flat angles P-C4'-P energy: -82.499
tors. eta vs tors. theta energy: -175.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1852.220713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.220713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.220713 (E_RNA)
where:
Base-Base interactions energy: -1259.118
where: short stacking energy: -562.610
Base-Backbone interact. energy: -4.440
local terms energy: -588.663005
where:
bonds (distance) C4'-P energy: -107.197
bonds (distance) P-C4' energy: -103.801
flat angles C4'-P-C4' energy: -127.110
flat angles P-C4'-P energy: -80.627
tors. eta vs tors. theta energy: -169.928
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: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1712.589319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.589319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.589319 (E_RNA)
where:
Base-Base interactions energy: -1159.098
where: short stacking energy: -508.679
Base-Backbone interact. energy: 1.004
local terms energy: -554.495171
where:
bonds (distance) C4'-P energy: -106.284
bonds (distance) P-C4' energy: -109.360
flat angles C4'-P-C4' energy: -113.073
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -152.627
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1736.117476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.117476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.117476 (E_RNA)
where:
Base-Base interactions energy: -1186.510
where: short stacking energy: -513.525
Base-Backbone interact. energy: -2.457
local terms energy: -547.151000
where:
bonds (distance) C4'-P energy: -110.127
bonds (distance) P-C4' energy: -101.789
flat angles C4'-P-C4' energy: -117.929
flat angles P-C4'-P energy: -71.063
tors. eta vs tors. theta energy: -146.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1604.928141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.928141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.928141 (E_RNA)
where:
Base-Base interactions energy: -1054.492
where: short stacking energy: -470.481
Base-Backbone interact. energy: -0.848
local terms energy: -549.588488
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -116.315
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -143.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1497.253656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.253656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.253656 (E_RNA)
where:
Base-Base interactions energy: -1014.421
where: short stacking energy: -451.025
Base-Backbone interact. energy: 4.913
local terms energy: -487.746217
where:
bonds (distance) C4'-P energy: -89.091
bonds (distance) P-C4' energy: -91.478
flat angles C4'-P-C4' energy: -106.733
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -135.119
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: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1388.432043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.432043 (E_RNA)
where:
Base-Base interactions energy: -946.482
where: short stacking energy: -377.234
Base-Backbone interact. energy: -0.981
local terms energy: -440.969104
where:
bonds (distance) C4'-P energy: -92.379
bonds (distance) P-C4' energy: -85.752
flat angles C4'-P-C4' energy: -91.891
flat angles P-C4'-P energy: -65.496
tors. eta vs tors. theta energy: -105.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1297.583775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.583775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.583775 (E_RNA)
where:
Base-Base interactions energy: -894.299
where: short stacking energy: -386.600
Base-Backbone interact. energy: -1.556
local terms energy: -401.727918
where:
bonds (distance) C4'-P energy: -78.660
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -29.452
tors. eta vs tors. theta energy: -88.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -744.599800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.599800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.599800 (E_RNA)
where:
Base-Base interactions energy: -396.261
where: short stacking energy: -201.239
Base-Backbone interact. energy: -1.650
local terms energy: -346.689198
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -69.875
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -43.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -520.934854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.934854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.934854 (E_RNA)
where:
Base-Base interactions energy: -224.227
where: short stacking energy: -135.979
Base-Backbone interact. energy: 3.340
local terms energy: -300.048306
where:
bonds (distance) C4'-P energy: -92.695
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -79.150
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -5.722
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: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1916.914140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.914140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.914140 (E_RNA)
where:
Base-Base interactions energy: -1315.007
where: short stacking energy: -565.318
Base-Backbone interact. energy: -0.090
local terms energy: -601.817134
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -97.945
flat angles C4'-P-C4' energy: -128.627
flat angles P-C4'-P energy: -94.326
tors. eta vs tors. theta energy: -168.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1854.772727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.772727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.772727 (E_RNA)
where:
Base-Base interactions energy: -1281.449
where: short stacking energy: -576.040
Base-Backbone interact. energy: -1.899
local terms energy: -571.424654
where:
bonds (distance) C4'-P energy: -105.793
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -115.866
flat angles P-C4'-P energy: -73.215
tors. eta vs tors. theta energy: -165.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1740.924718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.924718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.924718 (E_RNA)
where:
Base-Base interactions energy: -1194.643
where: short stacking energy: -555.441
Base-Backbone interact. energy: -2.423
local terms energy: -543.858808
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -84.484
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -64.314
tors. eta vs tors. theta energy: -173.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1691.620062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.620062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.620062 (E_RNA)
where:
Base-Base interactions energy: -1135.403
where: short stacking energy: -489.058
Base-Backbone interact. energy: -2.056
local terms energy: -554.160627
where:
bonds (distance) C4'-P energy: -102.564
bonds (distance) P-C4' energy: -106.687
flat angles C4'-P-C4' energy: -115.920
flat angles P-C4'-P energy: -90.467
tors. eta vs tors. theta energy: -138.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1601.525867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.525867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.525867 (E_RNA)
where:
Base-Base interactions energy: -1092.169
where: short stacking energy: -486.172
Base-Backbone interact. energy: -1.657
local terms energy: -507.699645
where:
bonds (distance) C4'-P energy: -87.391
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -117.833
flat angles P-C4'-P energy: -84.686
tors. eta vs tors. theta energy: -138.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1486.623839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.623839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.623839 (E_RNA)
where:
Base-Base interactions energy: -1011.520
where: short stacking energy: -440.589
Base-Backbone interact. energy: 0.565
local terms energy: -475.668905
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -93.970
flat angles C4'-P-C4' energy: -97.972
flat angles P-C4'-P energy: -70.903
tors. eta vs tors. theta energy: -130.527
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1367.680042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.680042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.680042 (E_RNA)
where:
Base-Base interactions energy: -910.222
where: short stacking energy: -373.552
Base-Backbone interact. energy: -1.771
local terms energy: -455.686900
where:
bonds (distance) C4'-P energy: -94.562
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -103.774
flat angles P-C4'-P energy: -59.378
tors. eta vs tors. theta energy: -106.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1294.628436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.628436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.628436 (E_RNA)
where:
Base-Base interactions energy: -879.281
where: short stacking energy: -370.036
Base-Backbone interact. energy: 4.930
local terms energy: -420.277590
where:
bonds (distance) C4'-P energy: -79.552
bonds (distance) P-C4' energy: -89.425
flat angles C4'-P-C4' energy: -96.694
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -96.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -711.230111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.230111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.230111 (E_RNA)
where:
Base-Base interactions energy: -409.239
where: short stacking energy: -195.750
Base-Backbone interact. energy: -0.549
local terms energy: -301.442119
where:
bonds (distance) C4'-P energy: -62.297
bonds (distance) P-C4' energy: -84.975
flat angles C4'-P-C4' energy: -82.518
flat angles P-C4'-P energy: -66.364
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -504.648918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.648918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.648918 (E_RNA)
where:
Base-Base interactions energy: -195.849
where: short stacking energy: -147.709
Base-Backbone interact. energy: 4.479
local terms energy: -313.279146
where:
bonds (distance) C4'-P energy: -86.888
bonds (distance) P-C4' energy: -101.499
flat angles C4'-P-C4' energy: -92.018
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: 15.946
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: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1939.195120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.195120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.195120 (E_RNA)
where:
Base-Base interactions energy: -1359.454
where: short stacking energy: -570.130
Base-Backbone interact. energy: 2.164
local terms energy: -581.904676
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -122.294
flat angles C4'-P-C4' energy: -117.201
flat angles P-C4'-P energy: -76.925
tors. eta vs tors. theta energy: -171.739
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1881.654589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.654589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.654589 (E_RNA)
where:
Base-Base interactions energy: -1275.498
where: short stacking energy: -568.418
Base-Backbone interact. energy: -1.197
local terms energy: -604.960177
where:
bonds (distance) C4'-P energy: -100.115
bonds (distance) P-C4' energy: -107.631
flat angles C4'-P-C4' energy: -124.744
flat angles P-C4'-P energy: -91.291
tors. eta vs tors. theta energy: -181.179
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: 101
Temperature: 1.000000
Total energy: -1731.765796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.765796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.765796 (E_RNA)
where:
Base-Base interactions energy: -1185.988
where: short stacking energy: -526.044
Base-Backbone interact. energy: -2.360
local terms energy: -543.417491
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -98.832
flat angles C4'-P-C4' energy: -123.120
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -157.074
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: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1670.456490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.456490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.456490 (E_RNA)
where:
Base-Base interactions energy: -1157.016
where: short stacking energy: -501.950
Base-Backbone interact. energy: -1.657
local terms energy: -511.783538
where:
bonds (distance) C4'-P energy: -96.766
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -107.229
flat angles P-C4'-P energy: -57.592
tors. eta vs tors. theta energy: -152.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1631.723887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.723887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.723887 (E_RNA)
where:
Base-Base interactions energy: -1123.041
where: short stacking energy: -493.611
Base-Backbone interact. energy: -0.756
local terms energy: -507.926950
where:
bonds (distance) C4'-P energy: -84.483
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -109.835
flat angles P-C4'-P energy: -71.177
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: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1493.223041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.223041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.223041 (E_RNA)
where:
Base-Base interactions energy: -1002.916
where: short stacking energy: -430.005
Base-Backbone interact. energy: -2.048
local terms energy: -488.259610
where:
bonds (distance) C4'-P energy: -104.359
bonds (distance) P-C4' energy: -95.648
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -74.625
tors. eta vs tors. theta energy: -116.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1341.707815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.707815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.707815 (E_RNA)
where:
Base-Base interactions energy: -907.800
where: short stacking energy: -379.864
Base-Backbone interact. energy: -0.849
local terms energy: -433.059120
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -82.392
flat angles C4'-P-C4' energy: -102.540
flat angles P-C4'-P energy: -67.844
tors. eta vs tors. theta energy: -93.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1273.265957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.265957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.265957 (E_RNA)
where:
Base-Base interactions energy: -878.207
where: short stacking energy: -380.552
Base-Backbone interact. energy: 10.238
local terms energy: -405.296245
where:
bonds (distance) C4'-P energy: -92.942
bonds (distance) P-C4' energy: -78.160
flat angles C4'-P-C4' energy: -87.032
flat angles P-C4'-P energy: -54.622
tors. eta vs tors. theta energy: -92.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -740.997159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.997159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.997159 (E_RNA)
where:
Base-Base interactions energy: -416.375
where: short stacking energy: -215.010
Base-Backbone interact. energy: -0.704
local terms energy: -323.918057
where:
bonds (distance) C4'-P energy: -81.392
bonds (distance) P-C4' energy: -88.310
flat angles C4'-P-C4' energy: -88.688
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -17.955
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: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -518.719603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.719603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.719603 (E_RNA)
where:
Base-Base interactions energy: -214.031
where: short stacking energy: -130.487
Base-Backbone interact. energy: -0.532
local terms energy: -304.156281
where:
bonds (distance) C4'-P energy: -99.085
bonds (distance) P-C4' energy: -96.210
flat angles C4'-P-C4' energy: -72.775
flat angles P-C4'-P energy: -49.961
tors. eta vs tors. theta energy: 13.874
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1922.040795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.040795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.040795 (E_RNA)
where:
Base-Base interactions energy: -1336.373
where: short stacking energy: -568.182
Base-Backbone interact. energy: -2.860
local terms energy: -582.808541
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -119.111
flat angles C4'-P-C4' energy: -117.070
flat angles P-C4'-P energy: -78.619
tors. eta vs tors. theta energy: -174.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1871.533918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.533918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.533918 (E_RNA)
where:
Base-Base interactions energy: -1291.331
where: short stacking energy: -541.644
Base-Backbone interact. energy: -2.830
local terms energy: -577.373087
where:
bonds (distance) C4'-P energy: -104.728
bonds (distance) P-C4' energy: -105.673
flat angles C4'-P-C4' energy: -114.804
flat angles P-C4'-P energy: -85.128
tors. eta vs tors. theta energy: -167.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1766.527410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.527410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.527410 (E_RNA)
where:
Base-Base interactions energy: -1194.034
where: short stacking energy: -545.435
Base-Backbone interact. energy: -1.728
local terms energy: -570.765581
where:
bonds (distance) C4'-P energy: -98.160
bonds (distance) P-C4' energy: -97.955
flat angles C4'-P-C4' energy: -123.281
flat angles P-C4'-P energy: -81.801
tors. eta vs tors. theta energy: -169.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1698.706327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.706327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.706327 (E_RNA)
where:
Base-Base interactions energy: -1173.053
where: short stacking energy: -505.433
Base-Backbone interact. energy: 5.848
local terms energy: -531.500831
where:
bonds (distance) C4'-P energy: -108.342
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -148.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1614.156593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.156593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.156593 (E_RNA)
where:
Base-Base interactions energy: -1080.188
where: short stacking energy: -493.186
Base-Backbone interact. energy: -1.199
local terms energy: -532.769386
where:
bonds (distance) C4'-P energy: -84.333
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -79.672
tors. eta vs tors. theta energy: -149.158
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: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1505.927502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.927502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.927502 (E_RNA)
where:
Base-Base interactions energy: -1018.216
where: short stacking energy: -451.585
Base-Backbone interact. energy: -0.050
local terms energy: -487.661227
where:
bonds (distance) C4'-P energy: -104.015
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -109.094
flat angles P-C4'-P energy: -57.896
tors. eta vs tors. theta energy: -125.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1356.745921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.745921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.745921 (E_RNA)
where:
Base-Base interactions energy: -898.250
where: short stacking energy: -399.557
Base-Backbone interact. energy: 0.846
local terms energy: -459.341786
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -93.180
flat angles C4'-P-C4' energy: -93.614
flat angles P-C4'-P energy: -72.541
tors. eta vs tors. theta energy: -96.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1265.211722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.211722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.211722 (E_RNA)
where:
Base-Base interactions energy: -838.554
where: short stacking energy: -371.598
Base-Backbone interact. energy: -0.896
local terms energy: -425.761241
where:
bonds (distance) C4'-P energy: -90.521
bonds (distance) P-C4' energy: -90.106
flat angles C4'-P-C4' energy: -103.399
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -777.572851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.572851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.572851 (E_RNA)
where:
Base-Base interactions energy: -442.176
where: short stacking energy: -178.431
Base-Backbone interact. energy: -0.689
local terms energy: -334.708170
where:
bonds (distance) C4'-P energy: -97.940
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -73.202
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -518.718934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.718934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.718934 (E_RNA)
where:
Base-Base interactions energy: -254.526
where: short stacking energy: -129.652
Base-Backbone interact. energy: 2.135
local terms energy: -266.328156
where:
bonds (distance) C4'-P energy: -82.777
bonds (distance) P-C4' energy: -90.359
flat angles C4'-P-C4' energy: -73.343
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: 15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1930.405778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.405778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.405778 (E_RNA)
where:
Base-Base interactions energy: -1342.608
where: short stacking energy: -582.792
Base-Backbone interact. energy: -2.459
local terms energy: -585.338801
where:
bonds (distance) C4'-P energy: -102.066
bonds (distance) P-C4' energy: -110.384
flat angles C4'-P-C4' energy: -122.031
flat angles P-C4'-P energy: -79.891
tors. eta vs tors. theta energy: -170.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1845.369421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.369421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.369421 (E_RNA)
where:
Base-Base interactions energy: -1243.704
where: short stacking energy: -547.706
Base-Backbone interact. energy: -5.254
local terms energy: -596.411437
where:
bonds (distance) C4'-P energy: -118.367
bonds (distance) P-C4' energy: -103.822
flat angles C4'-P-C4' energy: -120.275
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -172.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1702.682788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.682788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.682788 (E_RNA)
where:
Base-Base interactions energy: -1177.262
where: short stacking energy: -494.183
Base-Backbone interact. energy: -3.750
local terms energy: -521.670702
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -103.796
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -79.152
tors. eta vs tors. theta energy: -146.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1718.916169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.916169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.916169 (E_RNA)
where:
Base-Base interactions energy: -1181.578
where: short stacking energy: -503.617
Base-Backbone interact. energy: -1.486
local terms energy: -535.852335
where:
bonds (distance) C4'-P energy: -91.722
bonds (distance) P-C4' energy: -95.036
flat angles C4'-P-C4' energy: -113.981
flat angles P-C4'-P energy: -74.327
tors. eta vs tors. theta energy: -160.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1651.326542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.326542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.326542 (E_RNA)
where:
Base-Base interactions energy: -1112.636
where: short stacking energy: -500.818
Base-Backbone interact. energy: 0.082
local terms energy: -538.772101
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -87.859
flat angles C4'-P-C4' energy: -118.838
flat angles P-C4'-P energy: -76.879
tors. eta vs tors. theta energy: -150.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1472.059207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.059207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.059207 (E_RNA)
where:
Base-Base interactions energy: -977.484
where: short stacking energy: -411.943
Base-Backbone interact. energy: 2.721
local terms energy: -497.296419
where:
bonds (distance) C4'-P energy: -104.841
bonds (distance) P-C4' energy: -96.648
flat angles C4'-P-C4' energy: -113.023
flat angles P-C4'-P energy: -71.308
tors. eta vs tors. theta energy: -111.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1370.329408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.329408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.329408 (E_RNA)
where:
Base-Base interactions energy: -919.424
where: short stacking energy: -369.341
Base-Backbone interact. energy: -2.248
local terms energy: -448.656698
where:
bonds (distance) C4'-P energy: -78.511
bonds (distance) P-C4' energy: -100.345
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -88.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1338.900765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.900765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.900765 (E_RNA)
where:
Base-Base interactions energy: -881.170
where: short stacking energy: -390.868
Base-Backbone interact. energy: -1.147
local terms energy: -456.583486
where:
bonds (distance) C4'-P energy: -84.865
bonds (distance) P-C4' energy: -103.566
flat angles C4'-P-C4' energy: -105.208
flat angles P-C4'-P energy: -64.098
tors. eta vs tors. theta energy: -98.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -832.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.218838 (E_RNA)
where:
Base-Base interactions energy: -469.854
where: short stacking energy: -222.184
Base-Backbone interact. energy: -1.587
local terms energy: -360.778216
where:
bonds (distance) C4'-P energy: -96.640
bonds (distance) P-C4' energy: -108.844
flat angles C4'-P-C4' energy: -71.733
flat angles P-C4'-P energy: -63.148
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -525.638041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.638041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.638041 (E_RNA)
where:
Base-Base interactions energy: -243.026
where: short stacking energy: -152.160
Base-Backbone interact. energy: -0.447
local terms energy: -282.165775
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: 22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1906.242618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.242618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.242618 (E_RNA)
where:
Base-Base interactions energy: -1309.744
where: short stacking energy: -556.527
Base-Backbone interact. energy: -2.179
local terms energy: -594.319409
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -116.877
flat angles C4'-P-C4' energy: -119.126
flat angles P-C4'-P energy: -87.812
tors. eta vs tors. theta energy: -172.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1818.186879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.186879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.186879 (E_RNA)
where:
Base-Base interactions energy: -1258.996
where: short stacking energy: -554.976
Base-Backbone interact. energy: -2.721
local terms energy: -556.469504
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -86.442
tors. eta vs tors. theta energy: -163.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1765.911048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.911048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.911048 (E_RNA)
where:
Base-Base interactions energy: -1188.716
where: short stacking energy: -526.137
Base-Backbone interact. energy: -2.993
local terms energy: -574.201830
where:
bonds (distance) C4'-P energy: -109.877
bonds (distance) P-C4' energy: -105.866
flat angles C4'-P-C4' energy: -117.246
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -164.354
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: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1695.373149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.373149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.373149 (E_RNA)
where:
Base-Base interactions energy: -1138.661
where: short stacking energy: -495.785
Base-Backbone interact. energy: 2.659
local terms energy: -559.370519
where:
bonds (distance) C4'-P energy: -116.713
bonds (distance) P-C4' energy: -105.495
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -80.614
tors. eta vs tors. theta energy: -140.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1603.005702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.005702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.005702 (E_RNA)
where:
Base-Base interactions energy: -1111.956
where: short stacking energy: -482.695
Base-Backbone interact. energy: -2.642
local terms energy: -488.408052
where:
bonds (distance) C4'-P energy: -76.186
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -144.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1489.013221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.013221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.013221 (E_RNA)
where:
Base-Base interactions energy: -1003.109
where: short stacking energy: -439.271
Base-Backbone interact. energy: -0.780
local terms energy: -485.123870
where:
bonds (distance) C4'-P energy: -89.926
bonds (distance) P-C4' energy: -93.958
flat angles C4'-P-C4' energy: -112.353
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: -125.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1404.204733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.204733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.204733 (E_RNA)
where:
Base-Base interactions energy: -934.862
where: short stacking energy: -395.980
Base-Backbone interact. energy: -1.696
local terms energy: -467.646481
where:
bonds (distance) C4'-P energy: -99.150
bonds (distance) P-C4' energy: -95.914
flat angles C4'-P-C4' energy: -105.555
flat angles P-C4'-P energy: -67.574
tors. eta vs tors. theta energy: -99.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1331.217158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.217158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.217158 (E_RNA)
where:
Base-Base interactions energy: -908.198
where: short stacking energy: -400.929
Base-Backbone interact. energy: 0.823
local terms energy: -423.842188
where:
bonds (distance) C4'-P energy: -90.631
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -99.506
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -100.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -828.173817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.173817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.173817 (E_RNA)
where:
Base-Base interactions energy: -482.729
where: short stacking energy: -224.812
Base-Backbone interact. energy: -3.156
local terms energy: -342.289314
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -79.417
flat angles C4'-P-C4' energy: -89.031
flat angles P-C4'-P energy: -60.125
tors. eta vs tors. theta energy: -25.479
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: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -505.012421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.012421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.012421 (E_RNA)
where:
Base-Base interactions energy: -235.924
where: short stacking energy: -166.838
Base-Backbone interact. energy: -0.428
local terms energy: -268.659907
where:
bonds (distance) C4'-P energy: -81.888
bonds (distance) P-C4' energy: -81.432
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: 8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1905.090977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.090977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.090977 (E_RNA)
where:
Base-Base interactions energy: -1320.783
where: short stacking energy: -571.039
Base-Backbone interact. energy: -1.372
local terms energy: -582.936053
where:
bonds (distance) C4'-P energy: -107.161
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -125.858
flat angles P-C4'-P energy: -81.976
tors. eta vs tors. theta energy: -168.623
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: 105
Temperature: 0.950000
Total energy: -1844.217858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.217858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.217858 (E_RNA)
where:
Base-Base interactions energy: -1284.338
where: short stacking energy: -552.601
Base-Backbone interact. energy: -3.132
local terms energy: -556.747987
where:
bonds (distance) C4'-P energy: -106.256
bonds (distance) P-C4' energy: -99.002
flat angles C4'-P-C4' energy: -115.451
flat angles P-C4'-P energy: -68.847
tors. eta vs tors. theta energy: -167.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1774.609623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.609623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.609623 (E_RNA)
where:
Base-Base interactions energy: -1201.242
where: short stacking energy: -536.894
Base-Backbone interact. energy: -0.935
local terms energy: -572.432980
where:
bonds (distance) C4'-P energy: -102.073
bonds (distance) P-C4' energy: -103.356
flat angles C4'-P-C4' energy: -115.600
flat angles P-C4'-P energy: -85.450
tors. eta vs tors. theta energy: -165.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1660.152892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.152892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.152892 (E_RNA)
where:
Base-Base interactions energy: -1124.103
where: short stacking energy: -479.805
Base-Backbone interact. energy: -1.531
local terms energy: -534.519353
where:
bonds (distance) C4'-P energy: -106.217
bonds (distance) P-C4' energy: -92.453
flat angles C4'-P-C4' energy: -122.768
flat angles P-C4'-P energy: -78.752
tors. eta vs tors. theta energy: -134.330
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: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1591.835565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.835565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.835565 (E_RNA)
where:
Base-Base interactions energy: -1061.200
where: short stacking energy: -471.532
Base-Backbone interact. energy: -2.611
local terms energy: -528.023925
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -105.761
flat angles C4'-P-C4' energy: -122.141
flat angles P-C4'-P energy: -66.805
tors. eta vs tors. theta energy: -139.741
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: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1520.641881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.641881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.641881 (E_RNA)
where:
Base-Base interactions energy: -1014.794
where: short stacking energy: -441.708
Base-Backbone interact. energy: -1.029
local terms energy: -504.819096
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -106.763
flat angles C4'-P-C4' energy: -101.878
flat angles P-C4'-P energy: -74.339
tors. eta vs tors. theta energy: -123.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1414.294929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.294929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.294929 (E_RNA)
where:
Base-Base interactions energy: -948.455
where: short stacking energy: -382.631
Base-Backbone interact. energy: -0.218
local terms energy: -465.621157
where:
bonds (distance) C4'-P energy: -90.810
bonds (distance) P-C4' energy: -110.018
flat angles C4'-P-C4' energy: -98.626
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -111.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1258.833231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.833231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.833231 (E_RNA)
where:
Base-Base interactions energy: -862.230
where: short stacking energy: -366.595
Base-Backbone interact. energy: 0.336
local terms energy: -396.939779
where:
bonds (distance) C4'-P energy: -76.026
bonds (distance) P-C4' energy: -75.233
flat angles C4'-P-C4' energy: -79.492
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -104.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -850.983411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.983411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.983411 (E_RNA)
where:
Base-Base interactions energy: -520.845
where: short stacking energy: -241.859
Base-Backbone interact. energy: 0.611
local terms energy: -330.748769
where:
bonds (distance) C4'-P energy: -81.393
bonds (distance) P-C4' energy: -89.759
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -30.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -533.975703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.975703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.975703 (E_RNA)
where:
Base-Base interactions energy: -234.681
where: short stacking energy: -146.069
Base-Backbone interact. energy: 3.883
local terms energy: -303.176868
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -66.135
flat angles P-C4'-P energy: -45.943
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: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1895.019704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.019704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.019704 (E_RNA)
where:
Base-Base interactions energy: -1285.923
where: short stacking energy: -550.601
Base-Backbone interact. energy: -3.035
local terms energy: -606.061754
where:
bonds (distance) C4'-P energy: -105.387
bonds (distance) P-C4' energy: -117.753
flat angles C4'-P-C4' energy: -130.564
flat angles P-C4'-P energy: -84.087
tors. eta vs tors. theta energy: -168.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1858.264006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.264006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.264006 (E_RNA)
where:
Base-Base interactions energy: -1286.732
where: short stacking energy: -565.212
Base-Backbone interact. energy: 0.261
local terms energy: -571.793456
where:
bonds (distance) C4'-P energy: -106.418
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -74.495
tors. eta vs tors. theta energy: -165.451
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: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1759.343390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.343390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.343390 (E_RNA)
where:
Base-Base interactions energy: -1235.592
where: short stacking energy: -534.584
Base-Backbone interact. energy: -0.834
local terms energy: -522.917472
where:
bonds (distance) C4'-P energy: -87.147
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -103.318
flat angles P-C4'-P energy: -71.071
tors. eta vs tors. theta energy: -153.272
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: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1657.883173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.883173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.883173 (E_RNA)
where:
Base-Base interactions energy: -1125.643
where: short stacking energy: -497.248
Base-Backbone interact. energy: 1.390
local terms energy: -533.630757
where:
bonds (distance) C4'-P energy: -90.537
bonds (distance) P-C4' energy: -116.008
flat angles C4'-P-C4' energy: -111.593
flat angles P-C4'-P energy: -76.822
tors. eta vs tors. theta energy: -138.671
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: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1599.735818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.735818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.735818 (E_RNA)
where:
Base-Base interactions energy: -1069.775
where: short stacking energy: -465.293
Base-Backbone interact. energy: -1.339
local terms energy: -528.622095
where:
bonds (distance) C4'-P energy: -99.648
bonds (distance) P-C4' energy: -104.113
flat angles C4'-P-C4' energy: -107.331
flat angles P-C4'-P energy: -78.269
tors. eta vs tors. theta energy: -139.262
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: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1516.845645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.845645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.845645 (E_RNA)
where:
Base-Base interactions energy: -1038.586
where: short stacking energy: -466.814
Base-Backbone interact. energy: 3.161
local terms energy: -481.420002
where:
bonds (distance) C4'-P energy: -85.636
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -102.682
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -138.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1409.800028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.800028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.800028 (E_RNA)
where:
Base-Base interactions energy: -940.958
where: short stacking energy: -393.991
Base-Backbone interact. energy: -2.599
local terms energy: -466.243667
where:
bonds (distance) C4'-P energy: -97.702
bonds (distance) P-C4' energy: -103.471
flat angles C4'-P-C4' energy: -101.710
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -96.386
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: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1269.301179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.301179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.301179 (E_RNA)
where:
Base-Base interactions energy: -845.290
where: short stacking energy: -377.597
Base-Backbone interact. energy: -1.904
local terms energy: -422.107817
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -80.502
flat angles C4'-P-C4' energy: -98.684
flat angles P-C4'-P energy: -65.155
tors. eta vs tors. theta energy: -90.188
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: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -890.030649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.030649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.030649 (E_RNA)
where:
Base-Base interactions energy: -520.296
where: short stacking energy: -239.625
Base-Backbone interact. energy: 2.401
local terms energy: -372.135037
where:
bonds (distance) C4'-P energy: -85.988
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -92.817
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -43.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -507.066837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.066837 (E_RNA)
where:
Base-Base interactions energy: -219.378
where: short stacking energy: -116.691
Base-Backbone interact. energy: -3.137
local terms energy: -284.551143
where:
bonds (distance) C4'-P energy: -64.976
bonds (distance) P-C4' energy: -88.775
flat angles C4'-P-C4' energy: -72.722
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1920.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.535843 (E_RNA)
where:
Base-Base interactions energy: -1316.032
where: short stacking energy: -551.553
Base-Backbone interact. energy: -4.207
local terms energy: -600.296956
where:
bonds (distance) C4'-P energy: -111.177
bonds (distance) P-C4' energy: -116.643
flat angles C4'-P-C4' energy: -129.504
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -164.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1888.764749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.764749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.764749 (E_RNA)
where:
Base-Base interactions energy: -1284.927
where: short stacking energy: -570.400
Base-Backbone interact. energy: -5.460
local terms energy: -598.377843
where:
bonds (distance) C4'-P energy: -108.588
bonds (distance) P-C4' energy: -109.532
flat angles C4'-P-C4' energy: -128.378
flat angles P-C4'-P energy: -78.389
tors. eta vs tors. theta energy: -173.491
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: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1754.319987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.319987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.319987 (E_RNA)
where:
Base-Base interactions energy: -1220.953
where: short stacking energy: -508.698
Base-Backbone interact. energy: -4.043
local terms energy: -529.324185
where:
bonds (distance) C4'-P energy: -86.998
bonds (distance) P-C4' energy: -103.615
flat angles C4'-P-C4' energy: -111.388
flat angles P-C4'-P energy: -80.066
tors. eta vs tors. theta energy: -147.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1684.410528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.410528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.410528 (E_RNA)
where:
Base-Base interactions energy: -1161.701
where: short stacking energy: -516.148
Base-Backbone interact. energy: 0.450
local terms energy: -523.160088
where:
bonds (distance) C4'-P energy: -96.137
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -113.448
flat angles P-C4'-P energy: -80.001
tors. eta vs tors. theta energy: -138.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1575.687500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.687500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.687500 (E_RNA)
where:
Base-Base interactions energy: -1072.569
where: short stacking energy: -479.445
Base-Backbone interact. energy: -4.770
local terms energy: -498.348528
where:
bonds (distance) C4'-P energy: -82.320
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -110.177
flat angles P-C4'-P energy: -64.060
tors. eta vs tors. theta energy: -137.060
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: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1478.023722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.023722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.023722 (E_RNA)
where:
Base-Base interactions energy: -1004.252
where: short stacking energy: -439.532
Base-Backbone interact. energy: -1.843
local terms energy: -471.928330
where:
bonds (distance) C4'-P energy: -83.730
bonds (distance) P-C4' energy: -90.060
flat angles C4'-P-C4' energy: -110.598
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -122.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1345.439285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.439285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.439285 (E_RNA)
where:
Base-Base interactions energy: -883.730
where: short stacking energy: -392.553
Base-Backbone interact. energy: -1.594
local terms energy: -460.115181
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -108.290
flat angles C4'-P-C4' energy: -93.918
flat angles P-C4'-P energy: -70.979
tors. eta vs tors. theta energy: -100.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1310.532860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.532860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.532860 (E_RNA)
where:
Base-Base interactions energy: -877.557
where: short stacking energy: -387.078
Base-Backbone interact. energy: 0.340
local terms energy: -433.315577
where:
bonds (distance) C4'-P energy: -104.775
bonds (distance) P-C4' energy: -98.280
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -54.855
tors. eta vs tors. theta energy: -97.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -887.742332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.742332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.742332 (E_RNA)
where:
Base-Base interactions energy: -528.249
where: short stacking energy: -241.257
Base-Backbone interact. energy: -2.189
local terms energy: -357.304122
where:
bonds (distance) C4'-P energy: -81.713
bonds (distance) P-C4' energy: -93.209
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -65.669
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -529.957352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.957352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.957352 (E_RNA)
where:
Base-Base interactions energy: -226.983
where: short stacking energy: -157.936
Base-Backbone interact. energy: -0.634
local terms energy: -302.340659
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -97.438
flat angles C4'-P-C4' energy: -78.182
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: 2.915
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1889.913681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.913681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.913681 (E_RNA)
where:
Base-Base interactions energy: -1286.201
where: short stacking energy: -564.232
Base-Backbone interact. energy: -2.585
local terms energy: -601.127949
where:
bonds (distance) C4'-P energy: -112.027
bonds (distance) P-C4' energy: -108.165
flat angles C4'-P-C4' energy: -123.778
flat angles P-C4'-P energy: -89.035
tors. eta vs tors. theta energy: -168.123
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: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1830.120240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.120240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.120240 (E_RNA)
where:
Base-Base interactions energy: -1255.120
where: short stacking energy: -547.325
Base-Backbone interact. energy: -3.894
local terms energy: -571.106584
where:
bonds (distance) C4'-P energy: -100.732
bonds (distance) P-C4' energy: -109.770
flat angles C4'-P-C4' energy: -118.930
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -166.625
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: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1741.576994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.576994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.576994 (E_RNA)
where:
Base-Base interactions energy: -1188.053
where: short stacking energy: -522.191
Base-Backbone interact. energy: -1.179
local terms energy: -552.344611
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -110.416
flat angles P-C4'-P energy: -82.853
tors. eta vs tors. theta energy: -150.777
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: 108
Temperature: 1.050000
Total energy: -1668.168240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.168240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.168240 (E_RNA)
where:
Base-Base interactions energy: -1134.521
where: short stacking energy: -505.402
Base-Backbone interact. energy: 0.963
local terms energy: -534.611000
where:
bonds (distance) C4'-P energy: -103.555
bonds (distance) P-C4' energy: -81.945
flat angles C4'-P-C4' energy: -119.346
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -156.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1586.579835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.579835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.579835 (E_RNA)
where:
Base-Base interactions energy: -1063.895
where: short stacking energy: -452.160
Base-Backbone interact. energy: -1.080
local terms energy: -521.604254
where:
bonds (distance) C4'-P energy: -101.259
bonds (distance) P-C4' energy: -94.102
flat angles C4'-P-C4' energy: -113.089
flat angles P-C4'-P energy: -79.740
tors. eta vs tors. theta energy: -133.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1533.779114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.779114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.779114 (E_RNA)
where:
Base-Base interactions energy: -1043.790
where: short stacking energy: -464.012
Base-Backbone interact. energy: -3.968
local terms energy: -486.020418
where:
bonds (distance) C4'-P energy: -93.838
bonds (distance) P-C4' energy: -85.215
flat angles C4'-P-C4' energy: -107.780
flat angles P-C4'-P energy: -64.026
tors. eta vs tors. theta energy: -135.161
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: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1415.093799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.093799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.093799 (E_RNA)
where:
Base-Base interactions energy: -927.218
where: short stacking energy: -412.608
Base-Backbone interact. energy: 0.323
local terms energy: -488.198616
where:
bonds (distance) C4'-P energy: -97.011
bonds (distance) P-C4' energy: -95.193
flat angles C4'-P-C4' energy: -123.160
flat angles P-C4'-P energy: -61.888
tors. eta vs tors. theta energy: -110.947
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1365.924676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.924676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.924676 (E_RNA)
where:
Base-Base interactions energy: -929.486
where: short stacking energy: -392.632
Base-Backbone interact. energy: -2.480
local terms energy: -433.958530
where:
bonds (distance) C4'-P energy: -90.270
bonds (distance) P-C4' energy: -91.263
flat angles C4'-P-C4' energy: -92.942
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -99.671
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: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -881.596925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.596925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.596925 (E_RNA)
where:
Base-Base interactions energy: -542.713
where: short stacking energy: -252.916
Base-Backbone interact. energy: -0.907
local terms energy: -337.976347
where:
bonds (distance) C4'-P energy: -70.667
bonds (distance) P-C4' energy: -84.445
flat angles C4'-P-C4' energy: -96.135
flat angles P-C4'-P energy: -52.903
tors. eta vs tors. theta energy: -33.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -478.477138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.477138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.477138 (E_RNA)
where:
Base-Base interactions energy: -208.738
where: short stacking energy: -131.939
Base-Backbone interact. energy: 0.666
local terms energy: -270.405306
where:
bonds (distance) C4'-P energy: -74.936
bonds (distance) P-C4' energy: -95.225
flat angles C4'-P-C4' energy: -67.169
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: 6.020
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1918.224322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.224322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.224322 (E_RNA)
where:
Base-Base interactions energy: -1319.157
where: short stacking energy: -554.425
Base-Backbone interact. energy: -4.772
local terms energy: -594.295241
where:
bonds (distance) C4'-P energy: -103.057
bonds (distance) P-C4' energy: -108.820
flat angles C4'-P-C4' energy: -123.597
flat angles P-C4'-P energy: -85.532
tors. eta vs tors. theta energy: -173.289
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: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1830.816112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.816112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.816112 (E_RNA)
where:
Base-Base interactions energy: -1246.797
where: short stacking energy: -552.871
Base-Backbone interact. energy: -1.193
local terms energy: -582.825681
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -126.913
flat angles P-C4'-P energy: -77.201
tors. eta vs tors. theta energy: -173.421
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: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1743.635175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.635175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.635175 (E_RNA)
where:
Base-Base interactions energy: -1205.293
where: short stacking energy: -526.911
Base-Backbone interact. energy: -0.672
local terms energy: -537.670238
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -111.065
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -154.785
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: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1666.732626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.732626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.732626 (E_RNA)
where:
Base-Base interactions energy: -1118.602
where: short stacking energy: -482.239
Base-Backbone interact. energy: -1.280
local terms energy: -546.850612
where:
bonds (distance) C4'-P energy: -102.327
bonds (distance) P-C4' energy: -104.567
flat angles C4'-P-C4' energy: -113.347
flat angles P-C4'-P energy: -77.561
tors. eta vs tors. theta energy: -149.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1581.138514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.138514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.138514 (E_RNA)
where:
Base-Base interactions energy: -1048.234
where: short stacking energy: -448.438
Base-Backbone interact. energy: -0.311
local terms energy: -532.593224
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -108.127
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -69.582
tors. eta vs tors. theta energy: -137.638
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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1463.886410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.886410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.886410 (E_RNA)
where:
Base-Base interactions energy: -986.111
where: short stacking energy: -437.423
Base-Backbone interact. energy: -3.174
local terms energy: -474.601781
where:
bonds (distance) C4'-P energy: -103.917
bonds (distance) P-C4' energy: -93.684
flat angles C4'-P-C4' energy: -91.032
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -112.599
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: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1454.166796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.166796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.166796 (E_RNA)
where:
Base-Base interactions energy: -967.062
where: short stacking energy: -454.757
Base-Backbone interact. energy: 0.523
local terms energy: -487.628373
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -102.715
flat angles C4'-P-C4' energy: -96.051
flat angles P-C4'-P energy: -70.191
tors. eta vs tors. theta energy: -120.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1384.643208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.643208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.643208 (E_RNA)
where:
Base-Base interactions energy: -925.117
where: short stacking energy: -398.416
Base-Backbone interact. energy: 3.740
local terms energy: -463.266574
where:
bonds (distance) C4'-P energy: -92.341
bonds (distance) P-C4' energy: -92.670
flat angles C4'-P-C4' energy: -105.565
flat angles P-C4'-P energy: -69.927
tors. eta vs tors. theta energy: -102.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -861.657755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.657755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.657755 (E_RNA)
where:
Base-Base interactions energy: -525.292
where: short stacking energy: -261.294
Base-Backbone interact. energy: 0.241
local terms energy: -336.607459
where:
bonds (distance) C4'-P energy: -78.883
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -83.275
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -533.245019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.245019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.245019 (E_RNA)
where:
Base-Base interactions energy: -255.369
where: short stacking energy: -151.210
Base-Backbone interact. energy: -1.041
local terms energy: -276.835519
where:
bonds (distance) C4'-P energy: -86.815
bonds (distance) P-C4' energy: -93.975
flat angles C4'-P-C4' energy: -70.424
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: 13.362
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: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1920.006097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.006097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.006097 (E_RNA)
where:
Base-Base interactions energy: -1324.149
where: short stacking energy: -560.811
Base-Backbone interact. energy: -3.425
local terms energy: -592.432140
where:
bonds (distance) C4'-P energy: -104.853
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -121.455
flat angles P-C4'-P energy: -86.011
tors. eta vs tors. theta energy: -173.063
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: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1840.077262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.077262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.077262 (E_RNA)
where:
Base-Base interactions energy: -1254.767
where: short stacking energy: -556.898
Base-Backbone interact. energy: -1.009
local terms energy: -584.301257
where:
bonds (distance) C4'-P energy: -96.326
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -126.563
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -178.997
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1790.434004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.434004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.434004 (E_RNA)
where:
Base-Base interactions energy: -1222.731
where: short stacking energy: -533.667
Base-Backbone interact. energy: -2.267
local terms energy: -565.435376
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -103.453
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -81.732
tors. eta vs tors. theta energy: -148.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1675.025006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.025006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.025006 (E_RNA)
where:
Base-Base interactions energy: -1117.810
where: short stacking energy: -485.045
Base-Backbone interact. energy: 1.629
local terms energy: -558.843888
where:
bonds (distance) C4'-P energy: -105.232
bonds (distance) P-C4' energy: -105.443
flat angles C4'-P-C4' energy: -117.022
flat angles P-C4'-P energy: -82.109
tors. eta vs tors. theta energy: -149.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1595.521648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.521648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.521648 (E_RNA)
where:
Base-Base interactions energy: -1056.681
where: short stacking energy: -482.273
Base-Backbone interact. energy: -0.701
local terms energy: -538.139147
where:
bonds (distance) C4'-P energy: -96.140
bonds (distance) P-C4' energy: -105.314
flat angles C4'-P-C4' energy: -116.649
flat angles P-C4'-P energy: -78.276
tors. eta vs tors. theta energy: -141.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1449.935677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.935677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.935677 (E_RNA)
where:
Base-Base interactions energy: -953.171
where: short stacking energy: -430.277
Base-Backbone interact. energy: -2.128
local terms energy: -494.636181
where:
bonds (distance) C4'-P energy: -93.158
bonds (distance) P-C4' energy: -98.843
flat angles C4'-P-C4' energy: -107.038
flat angles P-C4'-P energy: -79.584
tors. eta vs tors. theta energy: -116.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1446.252413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.252413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.252413 (E_RNA)
where:
Base-Base interactions energy: -969.168
where: short stacking energy: -406.056
Base-Backbone interact. energy: 1.285
local terms energy: -478.368459
where:
bonds (distance) C4'-P energy: -95.360
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -97.731
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -111.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1368.231602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.231602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.231602 (E_RNA)
where:
Base-Base interactions energy: -919.041
where: short stacking energy: -386.661
Base-Backbone interact. energy: 0.543
local terms energy: -449.733032
where:
bonds (distance) C4'-P energy: -85.174
bonds (distance) P-C4' energy: -80.925
flat angles C4'-P-C4' energy: -98.760
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -108.102
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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -841.084803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.084803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.084803 (E_RNA)
where:
Base-Base interactions energy: -490.630
where: short stacking energy: -241.160
Base-Backbone interact. energy: -2.235
local terms energy: -348.219905
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -88.175
flat angles C4'-P-C4' energy: -86.425
flat angles P-C4'-P energy: -60.857
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -514.514053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.514053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.514053 (E_RNA)
where:
Base-Base interactions energy: -210.582
where: short stacking energy: -155.215
Base-Backbone interact. energy: 4.476
local terms energy: -308.408132
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -101.234
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -49.899
tors. eta vs tors. theta energy: 9.399
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: 111
Temperature: 0.900000
Total energy: -1941.300947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.300947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.300947 (E_RNA)
where:
Base-Base interactions energy: -1338.179
where: short stacking energy: -590.029
Base-Backbone interact. energy: -3.347
local terms energy: -599.775535
where:
bonds (distance) C4'-P energy: -109.959
bonds (distance) P-C4' energy: -109.687
flat angles C4'-P-C4' energy: -121.948
flat angles P-C4'-P energy: -82.312
tors. eta vs tors. theta energy: -175.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1859.441392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.441392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.441392 (E_RNA)
where:
Base-Base interactions energy: -1276.517
where: short stacking energy: -548.349
Base-Backbone interact. energy: -3.323
local terms energy: -579.601318
where:
bonds (distance) C4'-P energy: -106.920
bonds (distance) P-C4' energy: -102.241
flat angles C4'-P-C4' energy: -124.469
flat angles P-C4'-P energy: -78.196
tors. eta vs tors. theta energy: -167.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1725.404847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.404847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.404847 (E_RNA)
where:
Base-Base interactions energy: -1197.401
where: short stacking energy: -517.753
Base-Backbone interact. energy: -1.697
local terms energy: -526.307036
where:
bonds (distance) C4'-P energy: -97.374
bonds (distance) P-C4' energy: -89.255
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -73.649
tors. eta vs tors. theta energy: -156.130
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1679.358421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.358421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.358421 (E_RNA)
where:
Base-Base interactions energy: -1141.801
where: short stacking energy: -482.687
Base-Backbone interact. energy: 1.579
local terms energy: -539.136153
where:
bonds (distance) C4'-P energy: -95.197
bonds (distance) P-C4' energy: -107.572
flat angles C4'-P-C4' energy: -115.873
flat angles P-C4'-P energy: -76.626
tors. eta vs tors. theta energy: -143.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1569.816442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.816442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.816442 (E_RNA)
where:
Base-Base interactions energy: -1057.246
where: short stacking energy: -459.563
Base-Backbone interact. energy: 0.239
local terms energy: -512.809564
where:
bonds (distance) C4'-P energy: -100.868
bonds (distance) P-C4' energy: -105.962
flat angles C4'-P-C4' energy: -104.277
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -125.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1473.822845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.822845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.822845 (E_RNA)
where:
Base-Base interactions energy: -997.897
where: short stacking energy: -425.212
Base-Backbone interact. energy: 2.575
local terms energy: -478.500912
where:
bonds (distance) C4'-P energy: -90.943
bonds (distance) P-C4' energy: -103.380
flat angles C4'-P-C4' energy: -105.952
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -117.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1399.755559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.755559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.755559 (E_RNA)
where:
Base-Base interactions energy: -935.052
where: short stacking energy: -397.648
Base-Backbone interact. energy: 2.357
local terms energy: -467.060547
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -102.012
flat angles C4'-P-C4' energy: -108.437
flat angles P-C4'-P energy: -65.709
tors. eta vs tors. theta energy: -107.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1305.805485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.805485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.805485 (E_RNA)
where:
Base-Base interactions energy: -896.797
where: short stacking energy: -380.707
Base-Backbone interact. energy: 2.451
local terms energy: -411.459487
where:
bonds (distance) C4'-P energy: -79.527
bonds (distance) P-C4' energy: -86.747
flat angles C4'-P-C4' energy: -88.102
flat angles P-C4'-P energy: -62.215
tors. eta vs tors. theta energy: -94.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -845.409276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.409276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.409276 (E_RNA)
where:
Base-Base interactions energy: -507.783
where: short stacking energy: -233.615
Base-Backbone interact. energy: -2.263
local terms energy: -335.362771
where:
bonds (distance) C4'-P energy: -78.082
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -505.611970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.611970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.611970 (E_RNA)
where:
Base-Base interactions energy: -226.342
where: short stacking energy: -156.684
Base-Backbone interact. energy: 1.100
local terms energy: -280.370122
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -84.051
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: 11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1921.995716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.995716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.995716 (E_RNA)
where:
Base-Base interactions energy: -1328.084
where: short stacking energy: -574.861
Base-Backbone interact. energy: -5.043
local terms energy: -588.869277
where:
bonds (distance) C4'-P energy: -101.249
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -117.427
flat angles P-C4'-P energy: -87.458
tors. eta vs tors. theta energy: -170.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1830.614136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.614136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.614136 (E_RNA)
where:
Base-Base interactions energy: -1262.525
where: short stacking energy: -535.486
Base-Backbone interact. energy: -1.775
local terms energy: -566.313303
where:
bonds (distance) C4'-P energy: -100.059
bonds (distance) P-C4' energy: -109.585
flat angles C4'-P-C4' energy: -123.228
flat angles P-C4'-P energy: -79.962
tors. eta vs tors. theta energy: -153.480
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: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1785.575207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.575207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.575207 (E_RNA)
where:
Base-Base interactions energy: -1209.221
where: short stacking energy: -542.818
Base-Backbone interact. energy: 0.834
local terms energy: -577.187911
where:
bonds (distance) C4'-P energy: -96.210
bonds (distance) P-C4' energy: -109.381
flat angles C4'-P-C4' energy: -118.338
flat angles P-C4'-P energy: -88.798
tors. eta vs tors. theta energy: -164.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1713.944761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.944761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.944761 (E_RNA)
where:
Base-Base interactions energy: -1166.107
where: short stacking energy: -514.186
Base-Backbone interact. energy: -1.233
local terms energy: -546.604854
where:
bonds (distance) C4'-P energy: -99.109
bonds (distance) P-C4' energy: -113.778
flat angles C4'-P-C4' energy: -119.230
flat angles P-C4'-P energy: -67.611
tors. eta vs tors. theta energy: -146.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1619.377952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.377952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.377952 (E_RNA)
where:
Base-Base interactions energy: -1082.749
where: short stacking energy: -461.655
Base-Backbone interact. energy: -0.771
local terms energy: -535.858330
where:
bonds (distance) C4'-P energy: -109.848
bonds (distance) P-C4' energy: -86.514
flat angles C4'-P-C4' energy: -106.595
flat angles P-C4'-P energy: -85.246
tors. eta vs tors. theta energy: -147.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1506.168079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.168079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.168079 (E_RNA)
where:
Base-Base interactions energy: -1003.939
where: short stacking energy: -434.365
Base-Backbone interact. energy: -1.952
local terms energy: -500.276418
where:
bonds (distance) C4'-P energy: -105.904
bonds (distance) P-C4' energy: -99.012
flat angles C4'-P-C4' energy: -100.785
flat angles P-C4'-P energy: -70.578
tors. eta vs tors. theta energy: -123.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1395.896875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.896875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.896875 (E_RNA)
where:
Base-Base interactions energy: -948.064
where: short stacking energy: -407.415
Base-Backbone interact. energy: -1.288
local terms energy: -446.544781
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -94.380
flat angles P-C4'-P energy: -58.349
tors. eta vs tors. theta energy: -112.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1324.038081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.038081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.038081 (E_RNA)
where:
Base-Base interactions energy: -902.662
where: short stacking energy: -386.533
Base-Backbone interact. energy: -1.479
local terms energy: -419.897714
where:
bonds (distance) C4'-P energy: -77.021
bonds (distance) P-C4' energy: -87.304
flat angles C4'-P-C4' energy: -100.089
flat angles P-C4'-P energy: -61.265
tors. eta vs tors. theta energy: -94.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -813.555226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.555226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.555226 (E_RNA)
where:
Base-Base interactions energy: -458.368
where: short stacking energy: -230.658
Base-Backbone interact. energy: 0.851
local terms energy: -356.038991
where:
bonds (distance) C4'-P energy: -87.422
bonds (distance) P-C4' energy: -92.931
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -51.117
tors. eta vs tors. theta energy: -39.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -521.724240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.724240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.724240 (E_RNA)
where:
Base-Base interactions energy: -210.367
where: short stacking energy: -137.682
Base-Backbone interact. energy: -0.484
local terms energy: -310.872736
where:
bonds (distance) C4'-P energy: -88.513
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -71.663
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: -9.775
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: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1899.294069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.294069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.294069 (E_RNA)
where:
Base-Base interactions energy: -1302.021
where: short stacking energy: -591.693
Base-Backbone interact. energy: -3.656
local terms energy: -593.617652
where:
bonds (distance) C4'-P energy: -96.316
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -136.497
flat angles P-C4'-P energy: -81.474
tors. eta vs tors. theta energy: -167.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1857.933999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.933999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.933999 (E_RNA)
where:
Base-Base interactions energy: -1283.880
where: short stacking energy: -540.990
Base-Backbone interact. energy: 1.072
local terms energy: -575.125397
where:
bonds (distance) C4'-P energy: -100.500
bonds (distance) P-C4' energy: -106.820
flat angles C4'-P-C4' energy: -115.223
flat angles P-C4'-P energy: -91.046
tors. eta vs tors. theta energy: -161.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1767.305481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.305481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.305481 (E_RNA)
where:
Base-Base interactions energy: -1208.048
where: short stacking energy: -528.914
Base-Backbone interact. energy: 1.635
local terms energy: -560.892444
where:
bonds (distance) C4'-P energy: -103.776
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -83.659
tors. eta vs tors. theta energy: -157.584
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: 113
Temperature: 1.050000
Total energy: -1692.739355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.739355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.739355 (E_RNA)
where:
Base-Base interactions energy: -1141.099
where: short stacking energy: -494.907
Base-Backbone interact. energy: -0.183
local terms energy: -551.458097
where:
bonds (distance) C4'-P energy: -102.496
bonds (distance) P-C4' energy: -100.863
flat angles C4'-P-C4' energy: -114.551
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -148.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1599.847271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.847271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.847271 (E_RNA)
where:
Base-Base interactions energy: -1079.693
where: short stacking energy: -469.741
Base-Backbone interact. energy: -0.342
local terms energy: -519.812303
where:
bonds (distance) C4'-P energy: -86.608
bonds (distance) P-C4' energy: -76.118
flat angles C4'-P-C4' energy: -126.370
flat angles P-C4'-P energy: -83.393
tors. eta vs tors. theta energy: -147.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1493.519704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.519704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.519704 (E_RNA)
where:
Base-Base interactions energy: -1005.535
where: short stacking energy: -454.759
Base-Backbone interact. energy: 3.413
local terms energy: -491.397941
where:
bonds (distance) C4'-P energy: -95.220
bonds (distance) P-C4' energy: -85.837
flat angles C4'-P-C4' energy: -115.206
flat angles P-C4'-P energy: -79.836
tors. eta vs tors. theta energy: -115.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1411.669091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.669091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.669091 (E_RNA)
where:
Base-Base interactions energy: -959.406
where: short stacking energy: -402.068
Base-Backbone interact. energy: 4.555
local terms energy: -456.817928
where:
bonds (distance) C4'-P energy: -89.660
bonds (distance) P-C4' energy: -95.276
flat angles C4'-P-C4' energy: -98.712
flat angles P-C4'-P energy: -65.134
tors. eta vs tors. theta energy: -108.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1291.782834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.782834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.782834 (E_RNA)
where:
Base-Base interactions energy: -872.457
where: short stacking energy: -369.824
Base-Backbone interact. energy: 1.167
local terms energy: -420.492245
where:
bonds (distance) C4'-P energy: -89.426
bonds (distance) P-C4' energy: -74.076
flat angles C4'-P-C4' energy: -92.360
flat angles P-C4'-P energy: -72.680
tors. eta vs tors. theta energy: -91.951
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: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -888.434132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.434132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.434132 (E_RNA)
where:
Base-Base interactions energy: -498.010
where: short stacking energy: -229.881
Base-Backbone interact. energy: 0.948
local terms energy: -391.371878
where:
bonds (distance) C4'-P energy: -101.045
bonds (distance) P-C4' energy: -116.379
flat angles C4'-P-C4' energy: -88.065
flat angles P-C4'-P energy: -55.629
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -520.885679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.885679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.885679 (E_RNA)
where:
Base-Base interactions energy: -225.506
where: short stacking energy: -139.688
Base-Backbone interact. energy: -1.884
local terms energy: -293.495346
where:
bonds (distance) C4'-P energy: -76.723
bonds (distance) P-C4' energy: -89.209
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -59.532
tors. eta vs tors. theta energy: 6.246
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: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1922.559521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.559521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.559521 (E_RNA)
where:
Base-Base interactions energy: -1321.036
where: short stacking energy: -571.041
Base-Backbone interact. energy: -3.766
local terms energy: -597.757356
where:
bonds (distance) C4'-P energy: -102.727
bonds (distance) P-C4' energy: -105.905
flat angles C4'-P-C4' energy: -128.966
flat angles P-C4'-P energy: -88.768
tors. eta vs tors. theta energy: -171.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1845.455109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.455109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.455109 (E_RNA)
where:
Base-Base interactions energy: -1271.011
where: short stacking energy: -551.612
Base-Backbone interact. energy: -1.815
local terms energy: -572.628336
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -114.560
flat angles C4'-P-C4' energy: -112.740
flat angles P-C4'-P energy: -88.297
tors. eta vs tors. theta energy: -161.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1751.856262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.856262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.856262 (E_RNA)
where:
Base-Base interactions energy: -1202.954
where: short stacking energy: -540.066
Base-Backbone interact. energy: 0.229
local terms energy: -549.132097
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -94.126
flat angles C4'-P-C4' energy: -122.536
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -156.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1677.491043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.491043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.491043 (E_RNA)
where:
Base-Base interactions energy: -1140.526
where: short stacking energy: -485.838
Base-Backbone interact. energy: -1.408
local terms energy: -535.557365
where:
bonds (distance) C4'-P energy: -104.963
bonds (distance) P-C4' energy: -92.760
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -88.273
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: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1555.068378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.068378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.068378 (E_RNA)
where:
Base-Base interactions energy: -1057.121
where: short stacking energy: -453.115
Base-Backbone interact. energy: -1.650
local terms energy: -496.298028
where:
bonds (distance) C4'-P energy: -91.072
bonds (distance) P-C4' energy: -95.925
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -76.981
tors. eta vs tors. theta energy: -127.568
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1551.734568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.734568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.734568 (E_RNA)
where:
Base-Base interactions energy: -1042.381
where: short stacking energy: -436.162
Base-Backbone interact. energy: -2.942
local terms energy: -506.411265
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -94.451
flat angles C4'-P-C4' energy: -100.284
flat angles P-C4'-P energy: -82.797
tors. eta vs tors. theta energy: -130.436
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: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1389.281882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.281882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.281882 (E_RNA)
where:
Base-Base interactions energy: -945.238
where: short stacking energy: -398.820
Base-Backbone interact. energy: -1.460
local terms energy: -442.583837
where:
bonds (distance) C4'-P energy: -87.999
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -87.651
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -105.227
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: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1305.280795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.280795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.280795 (E_RNA)
where:
Base-Base interactions energy: -889.520
where: short stacking energy: -362.461
Base-Backbone interact. energy: 1.499
local terms energy: -417.259382
where:
bonds (distance) C4'-P energy: -85.277
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -91.448
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: -92.199
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: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -875.245289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.245289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.245289 (E_RNA)
where:
Base-Base interactions energy: -529.553
where: short stacking energy: -271.204
Base-Backbone interact. energy: 6.801
local terms energy: -352.492758
where:
bonds (distance) C4'-P energy: -88.903
bonds (distance) P-C4' energy: -78.165
flat angles C4'-P-C4' energy: -81.098
flat angles P-C4'-P energy: -63.556
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -515.089379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.089379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.089379 (E_RNA)
where:
Base-Base interactions energy: -230.853
where: short stacking energy: -148.314
Base-Backbone interact. energy: -2.383
local terms energy: -281.853538
where:
bonds (distance) C4'-P energy: -80.348
bonds (distance) P-C4' energy: -97.842
flat angles C4'-P-C4' energy: -74.425
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: 23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1891.776218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.776218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.776218 (E_RNA)
where:
Base-Base interactions energy: -1294.386
where: short stacking energy: -566.168
Base-Backbone interact. energy: -0.547
local terms energy: -596.843435
where:
bonds (distance) C4'-P energy: -105.540
bonds (distance) P-C4' energy: -103.415
flat angles C4'-P-C4' energy: -129.982
flat angles P-C4'-P energy: -84.328
tors. eta vs tors. theta energy: -173.578
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1863.894353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.894353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.894353 (E_RNA)
where:
Base-Base interactions energy: -1265.091
where: short stacking energy: -555.739
Base-Backbone interact. energy: -4.282
local terms energy: -594.520931
where:
bonds (distance) C4'-P energy: -106.109
bonds (distance) P-C4' energy: -110.594
flat angles C4'-P-C4' energy: -123.281
flat angles P-C4'-P energy: -85.474
tors. eta vs tors. theta energy: -169.063
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: 115
Temperature: 1.000000
Total energy: -1755.280618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.280618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.280618 (E_RNA)
where:
Base-Base interactions energy: -1183.722
where: short stacking energy: -533.165
Base-Backbone interact. energy: 0.121
local terms energy: -571.678968
where:
bonds (distance) C4'-P energy: -107.753
bonds (distance) P-C4' energy: -98.794
flat angles C4'-P-C4' energy: -122.588
flat angles P-C4'-P energy: -79.692
tors. eta vs tors. theta energy: -162.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1673.941763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.941763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.941763 (E_RNA)
where:
Base-Base interactions energy: -1137.569
where: short stacking energy: -510.594
Base-Backbone interact. energy: 2.635
local terms energy: -539.007521
where:
bonds (distance) C4'-P energy: -105.201
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -113.182
flat angles P-C4'-P energy: -72.700
tors. eta vs tors. theta energy: -135.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1553.009025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.009025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.009025 (E_RNA)
where:
Base-Base interactions energy: -1064.293
where: short stacking energy: -468.414
Base-Backbone interact. energy: -1.266
local terms energy: -487.449554
where:
bonds (distance) C4'-P energy: -88.823
bonds (distance) P-C4' energy: -96.374
flat angles C4'-P-C4' energy: -103.456
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: -125.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1583.279597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.279597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.279597 (E_RNA)
where:
Base-Base interactions energy: -1104.799
where: short stacking energy: -478.318
Base-Backbone interact. energy: -2.234
local terms energy: -476.246265
where:
bonds (distance) C4'-P energy: -88.504
bonds (distance) P-C4' energy: -75.096
flat angles C4'-P-C4' energy: -99.849
flat angles P-C4'-P energy: -76.943
tors. eta vs tors. theta energy: -135.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1432.097737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.097737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.097737 (E_RNA)
where:
Base-Base interactions energy: -969.065
where: short stacking energy: -417.660
Base-Backbone interact. energy: -1.235
local terms energy: -461.797406
where:
bonds (distance) C4'-P energy: -87.060
bonds (distance) P-C4' energy: -87.699
flat angles C4'-P-C4' energy: -111.633
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -111.845
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: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1298.796183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.796183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.796183 (E_RNA)
where:
Base-Base interactions energy: -886.980
where: short stacking energy: -364.896
Base-Backbone interact. energy: -1.153
local terms energy: -410.663249
where:
bonds (distance) C4'-P energy: -84.673
bonds (distance) P-C4' energy: -91.386
flat angles C4'-P-C4' energy: -80.516
flat angles P-C4'-P energy: -64.732
tors. eta vs tors. theta energy: -89.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -860.966049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.966049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.966049 (E_RNA)
where:
Base-Base interactions energy: -507.151
where: short stacking energy: -248.144
Base-Backbone interact. energy: -0.813
local terms energy: -353.002415
where:
bonds (distance) C4'-P energy: -82.792
bonds (distance) P-C4' energy: -99.286
flat angles C4'-P-C4' energy: -92.176
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -31.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -500.881707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.881707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.881707 (E_RNA)
where:
Base-Base interactions energy: -202.125
where: short stacking energy: -139.461
Base-Backbone interact. energy: 4.220
local terms energy: -302.976444
where:
bonds (distance) C4'-P energy: -82.426
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1895.867339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.867339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.867339 (E_RNA)
where:
Base-Base interactions energy: -1295.602
where: short stacking energy: -557.701
Base-Backbone interact. energy: -0.680
local terms energy: -599.585508
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -115.668
flat angles C4'-P-C4' energy: -119.729
flat angles P-C4'-P energy: -90.838
tors. eta vs tors. theta energy: -169.790
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: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1861.971893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.971893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.971893 (E_RNA)
where:
Base-Base interactions energy: -1282.732
where: short stacking energy: -558.281
Base-Backbone interact. energy: 0.399
local terms energy: -579.638288
where:
bonds (distance) C4'-P energy: -92.500
bonds (distance) P-C4' energy: -97.612
flat angles C4'-P-C4' energy: -121.511
flat angles P-C4'-P energy: -88.550
tors. eta vs tors. theta energy: -179.466
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: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1757.702563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.702563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.702563 (E_RNA)
where:
Base-Base interactions energy: -1178.115
where: short stacking energy: -541.720
Base-Backbone interact. energy: -2.362
local terms energy: -577.226160
where:
bonds (distance) C4'-P energy: -99.927
bonds (distance) P-C4' energy: -99.234
flat angles C4'-P-C4' energy: -127.891
flat angles P-C4'-P energy: -79.085
tors. eta vs tors. theta energy: -171.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1698.914398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.914398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.914398 (E_RNA)
where:
Base-Base interactions energy: -1155.874
where: short stacking energy: -507.033
Base-Backbone interact. energy: -0.173
local terms energy: -542.866619
where:
bonds (distance) C4'-P energy: -89.049
bonds (distance) P-C4' energy: -98.045
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -89.894
tors. eta vs tors. theta energy: -152.263
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1602.219786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.219786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.219786 (E_RNA)
where:
Base-Base interactions energy: -1079.196
where: short stacking energy: -469.999
Base-Backbone interact. energy: 0.440
local terms energy: -523.463035
where:
bonds (distance) C4'-P energy: -101.325
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -79.694
tors. eta vs tors. theta energy: -130.757
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: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1477.246895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.246895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.246895 (E_RNA)
where:
Base-Base interactions energy: -1007.165
where: short stacking energy: -423.314
Base-Backbone interact. energy: 3.330
local terms energy: -473.411138
where:
bonds (distance) C4'-P energy: -96.245
bonds (distance) P-C4' energy: -92.461
flat angles C4'-P-C4' energy: -110.138
flat angles P-C4'-P energy: -61.963
tors. eta vs tors. theta energy: -112.605
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: 116
Temperature: 1.200000
Total energy: -1475.283203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.283203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.283203 (E_RNA)
where:
Base-Base interactions energy: -1013.169
where: short stacking energy: -445.515
Base-Backbone interact. energy: -2.135
local terms energy: -459.979380
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -88.177
flat angles C4'-P-C4' energy: -98.997
flat angles P-C4'-P energy: -67.881
tors. eta vs tors. theta energy: -113.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1313.821193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.821193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.821193 (E_RNA)
where:
Base-Base interactions energy: -872.288
where: short stacking energy: -376.615
Base-Backbone interact. energy: -2.669
local terms energy: -438.864419
where:
bonds (distance) C4'-P energy: -83.495
bonds (distance) P-C4' energy: -97.557
flat angles C4'-P-C4' energy: -101.458
flat angles P-C4'-P energy: -58.989
tors. eta vs tors. theta energy: -97.366
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: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -787.519646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.519646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.519646 (E_RNA)
where:
Base-Base interactions energy: -462.865
where: short stacking energy: -220.729
Base-Backbone interact. energy: -0.516
local terms energy: -324.139105
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -98.510
flat angles C4'-P-C4' energy: -76.067
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -494.698215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.698215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.698215 (E_RNA)
where:
Base-Base interactions energy: -253.277
where: short stacking energy: -150.796
Base-Backbone interact. energy: 0.014
local terms energy: -241.435223
where:
bonds (distance) C4'-P energy: -83.664
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -72.053
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: 33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1884.145384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.145384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.145384 (E_RNA)
where:
Base-Base interactions energy: -1306.520
where: short stacking energy: -581.356
Base-Backbone interact. energy: -0.281
local terms energy: -577.344190
where:
bonds (distance) C4'-P energy: -104.466
bonds (distance) P-C4' energy: -94.461
flat angles C4'-P-C4' energy: -119.581
flat angles P-C4'-P energy: -89.967
tors. eta vs tors. theta energy: -168.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1884.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.220778 (E_RNA)
where:
Base-Base interactions energy: -1300.781
where: short stacking energy: -580.428
Base-Backbone interact. energy: -3.101
local terms energy: -580.338248
where:
bonds (distance) C4'-P energy: -99.880
bonds (distance) P-C4' energy: -103.939
flat angles C4'-P-C4' energy: -106.914
flat angles P-C4'-P energy: -87.146
tors. eta vs tors. theta energy: -182.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1750.469584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.469584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.469584 (E_RNA)
where:
Base-Base interactions energy: -1179.804
where: short stacking energy: -526.067
Base-Backbone interact. energy: -0.355
local terms energy: -570.311496
where:
bonds (distance) C4'-P energy: -94.585
bonds (distance) P-C4' energy: -118.634
flat angles C4'-P-C4' energy: -118.326
flat angles P-C4'-P energy: -79.312
tors. eta vs tors. theta energy: -159.454
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: 117
Temperature: 1.050000
Total energy: -1687.211878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.211878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.211878 (E_RNA)
where:
Base-Base interactions energy: -1143.641
where: short stacking energy: -508.758
Base-Backbone interact. energy: -2.747
local terms energy: -540.824370
where:
bonds (distance) C4'-P energy: -106.425
bonds (distance) P-C4' energy: -103.328
flat angles C4'-P-C4' energy: -114.933
flat angles P-C4'-P energy: -79.913
tors. eta vs tors. theta energy: -136.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1582.443393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.443393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.443393 (E_RNA)
where:
Base-Base interactions energy: -1083.366
where: short stacking energy: -470.270
Base-Backbone interact. energy: 1.641
local terms energy: -500.717472
where:
bonds (distance) C4'-P energy: -98.549
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -107.216
flat angles P-C4'-P energy: -62.224
tors. eta vs tors. theta energy: -135.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1511.986698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.986698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.986698 (E_RNA)
where:
Base-Base interactions energy: -1030.428
where: short stacking energy: -451.649
Base-Backbone interact. energy: 0.520
local terms energy: -482.079473
where:
bonds (distance) C4'-P energy: -87.763
bonds (distance) P-C4' energy: -96.816
flat angles C4'-P-C4' energy: -102.819
flat angles P-C4'-P energy: -73.983
tors. eta vs tors. theta energy: -120.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1413.784222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.784222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.784222 (E_RNA)
where:
Base-Base interactions energy: -970.248
where: short stacking energy: -419.237
Base-Backbone interact. energy: -0.981
local terms energy: -442.555604
where:
bonds (distance) C4'-P energy: -91.136
bonds (distance) P-C4' energy: -95.729
flat angles C4'-P-C4' energy: -88.571
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -106.940
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: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1276.977520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.977520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.977520 (E_RNA)
where:
Base-Base interactions energy: -840.966
where: short stacking energy: -372.656
Base-Backbone interact. energy: -0.834
local terms energy: -435.177896
where:
bonds (distance) C4'-P energy: -88.893
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -104.809
flat angles P-C4'-P energy: -58.722
tors. eta vs tors. theta energy: -88.720
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -874.841397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.841397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.841397 (E_RNA)
where:
Base-Base interactions energy: -532.201
where: short stacking energy: -272.705
Base-Backbone interact. energy: 0.113
local terms energy: -342.753206
where:
bonds (distance) C4'-P energy: -73.408
bonds (distance) P-C4' energy: -88.466
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -500.047429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.047429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.047429 (E_RNA)
where:
Base-Base interactions energy: -197.734
where: short stacking energy: -146.259
Base-Backbone interact. energy: 0.507
local terms energy: -302.820025
where:
bonds (distance) C4'-P energy: -77.142
bonds (distance) P-C4' energy: -94.045
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -49.793
tors. eta vs tors. theta energy: 17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1900.251322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.251322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.251322 (E_RNA)
where:
Base-Base interactions energy: -1303.044
where: short stacking energy: -567.262
Base-Backbone interact. energy: -4.394
local terms energy: -592.813868
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -103.537
flat angles C4'-P-C4' energy: -124.880
flat angles P-C4'-P energy: -81.784
tors. eta vs tors. theta energy: -181.255
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1884.091586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.091586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.091586 (E_RNA)
where:
Base-Base interactions energy: -1280.184
where: short stacking energy: -562.249
Base-Backbone interact. energy: -3.120
local terms energy: -600.787337
where:
bonds (distance) C4'-P energy: -117.986
bonds (distance) P-C4' energy: -106.317
flat angles C4'-P-C4' energy: -125.962
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -169.346
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: 118
Temperature: 1.000000
Total energy: -1741.117829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.117829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.117829 (E_RNA)
where:
Base-Base interactions energy: -1159.703
where: short stacking energy: -533.902
Base-Backbone interact. energy: -1.396
local terms energy: -580.019186
where:
bonds (distance) C4'-P energy: -99.796
bonds (distance) P-C4' energy: -104.286
flat angles C4'-P-C4' energy: -123.726
flat angles P-C4'-P energy: -90.885
tors. eta vs tors. theta energy: -161.327
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: 118
Temperature: 1.050000
Total energy: -1706.871828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.871828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.871828 (E_RNA)
where:
Base-Base interactions energy: -1152.505
where: short stacking energy: -530.298
Base-Backbone interact. energy: -0.964
local terms energy: -553.403452
where:
bonds (distance) C4'-P energy: -105.215
bonds (distance) P-C4' energy: -98.708
flat angles C4'-P-C4' energy: -112.303
flat angles P-C4'-P energy: -76.114
tors. eta vs tors. theta energy: -161.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1549.465470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.465470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.465470 (E_RNA)
where:
Base-Base interactions energy: -1066.547
where: short stacking energy: -460.763
Base-Backbone interact. energy: -0.301
local terms energy: -482.617183
where:
bonds (distance) C4'-P energy: -81.843
bonds (distance) P-C4' energy: -101.252
flat angles C4'-P-C4' energy: -110.454
flat angles P-C4'-P energy: -68.269
tors. eta vs tors. theta energy: -120.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1495.833068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.833068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.833068 (E_RNA)
where:
Base-Base interactions energy: -1012.262
where: short stacking energy: -432.122
Base-Backbone interact. energy: -1.421
local terms energy: -482.149595
where:
bonds (distance) C4'-P energy: -103.100
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -93.480
flat angles P-C4'-P energy: -66.452
tors. eta vs tors. theta energy: -120.676
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: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1375.559166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.559166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.559166 (E_RNA)
where:
Base-Base interactions energy: -946.092
where: short stacking energy: -413.133
Base-Backbone interact. energy: -0.794
local terms energy: -428.673474
where:
bonds (distance) C4'-P energy: -84.085
bonds (distance) P-C4' energy: -82.497
flat angles C4'-P-C4' energy: -99.834
flat angles P-C4'-P energy: -65.197
tors. eta vs tors. theta energy: -97.060
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1290.829891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.829891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.829891 (E_RNA)
where:
Base-Base interactions energy: -834.005
where: short stacking energy: -376.220
Base-Backbone interact. energy: 0.773
local terms energy: -457.597559
where:
bonds (distance) C4'-P energy: -103.997
bonds (distance) P-C4' energy: -90.454
flat angles C4'-P-C4' energy: -102.542
flat angles P-C4'-P energy: -72.527
tors. eta vs tors. theta energy: -88.078
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: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -885.491537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.491537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.491537 (E_RNA)
where:
Base-Base interactions energy: -531.447
where: short stacking energy: -238.509
Base-Backbone interact. energy: -3.880
local terms energy: -350.164907
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -95.867
flat angles C4'-P-C4' energy: -96.126
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -31.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -487.746331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.746331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.746331 (E_RNA)
where:
Base-Base interactions energy: -206.904
where: short stacking energy: -127.999
Base-Backbone interact. energy: -1.022
local terms energy: -279.820651
where:
bonds (distance) C4'-P energy: -100.522
bonds (distance) P-C4' energy: -82.777
flat angles C4'-P-C4' energy: -77.393
flat angles P-C4'-P energy: -42.766
tors. eta vs tors. theta energy: 23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1893.603762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.603762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.603762 (E_RNA)
where:
Base-Base interactions energy: -1292.714
where: short stacking energy: -560.778
Base-Backbone interact. energy: -0.137
local terms energy: -600.752517
where:
bonds (distance) C4'-P energy: -103.141
bonds (distance) P-C4' energy: -106.193
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -85.647
tors. eta vs tors. theta energy: -174.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1853.917209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.917209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.917209 (E_RNA)
where:
Base-Base interactions energy: -1291.367
where: short stacking energy: -550.560
Base-Backbone interact. energy: -1.411
local terms energy: -561.139655
where:
bonds (distance) C4'-P energy: -107.157
bonds (distance) P-C4' energy: -97.620
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -165.274
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: 119
Temperature: 1.000000
Total energy: -1725.314140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.314140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.314140 (E_RNA)
where:
Base-Base interactions energy: -1180.352
where: short stacking energy: -546.648
Base-Backbone interact. energy: -0.300
local terms energy: -544.662803
where:
bonds (distance) C4'-P energy: -101.308
bonds (distance) P-C4' energy: -103.746
flat angles C4'-P-C4' energy: -106.674
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -156.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1690.181003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.181003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.181003 (E_RNA)
where:
Base-Base interactions energy: -1140.306
where: short stacking energy: -527.241
Base-Backbone interact. energy: -3.345
local terms energy: -546.530936
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -119.307
flat angles P-C4'-P energy: -78.990
tors. eta vs tors. theta energy: -159.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1595.884636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.884636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.884636 (E_RNA)
where:
Base-Base interactions energy: -1112.363
where: short stacking energy: -466.990
Base-Backbone interact. energy: 1.611
local terms energy: -485.132728
where:
bonds (distance) C4'-P energy: -91.140
bonds (distance) P-C4' energy: -90.435
flat angles C4'-P-C4' energy: -105.899
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -123.667
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: 119
Temperature: 1.150000
Total energy: -1523.650192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.650192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.650192 (E_RNA)
where:
Base-Base interactions energy: -1033.142
where: short stacking energy: -433.181
Base-Backbone interact. energy: -0.632
local terms energy: -489.876030
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -104.509
flat angles C4'-P-C4' energy: -87.253
flat angles P-C4'-P energy: -82.923
tors. eta vs tors. theta energy: -116.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1399.195241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.195241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.195241 (E_RNA)
where:
Base-Base interactions energy: -948.292
where: short stacking energy: -404.829
Base-Backbone interact. energy: 0.951
local terms energy: -451.854316
where:
bonds (distance) C4'-P energy: -83.732
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -105.421
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -97.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1272.950885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.950885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.950885 (E_RNA)
where:
Base-Base interactions energy: -858.319
where: short stacking energy: -363.046
Base-Backbone interact. energy: 0.717
local terms energy: -415.349374
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -93.955
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -63.998
tors. eta vs tors. theta energy: -86.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -809.440573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.440573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.440573 (E_RNA)
where:
Base-Base interactions energy: -483.637
where: short stacking energy: -227.259
Base-Backbone interact. energy: -3.333
local terms energy: -322.470313
where:
bonds (distance) C4'-P energy: -87.908
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -80.592
flat angles P-C4'-P energy: -63.352
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -494.867329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.867329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.867329 (E_RNA)
where:
Base-Base interactions energy: -213.340
where: short stacking energy: -160.284
Base-Backbone interact. energy: 4.982
local terms energy: -286.509139
where:
bonds (distance) C4'-P energy: -82.300
bonds (distance) P-C4' energy: -86.319
flat angles C4'-P-C4' energy: -75.488
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: 1.361
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1901.980126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.980126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.980126 (E_RNA)
where:
Base-Base interactions energy: -1299.502
where: short stacking energy: -574.661
Base-Backbone interact. energy: -2.686
local terms energy: -599.791980
where:
bonds (distance) C4'-P energy: -112.859
bonds (distance) P-C4' energy: -105.231
flat angles C4'-P-C4' energy: -126.707
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -166.384
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: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1843.971108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.971108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.971108 (E_RNA)
where:
Base-Base interactions energy: -1258.732
where: short stacking energy: -574.149
Base-Backbone interact. energy: -2.533
local terms energy: -582.706713
where:
bonds (distance) C4'-P energy: -101.822
bonds (distance) P-C4' energy: -114.670
flat angles C4'-P-C4' energy: -116.603
flat angles P-C4'-P energy: -81.424
tors. eta vs tors. theta energy: -168.188
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: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1735.010883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.010883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.010883 (E_RNA)
where:
Base-Base interactions energy: -1146.755
where: short stacking energy: -536.312
Base-Backbone interact. energy: -0.091
local terms energy: -588.165020
where:
bonds (distance) C4'-P energy: -94.167
bonds (distance) P-C4' energy: -118.702
flat angles C4'-P-C4' energy: -125.783
flat angles P-C4'-P energy: -87.936
tors. eta vs tors. theta energy: -161.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1663.560774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.560774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.560774 (E_RNA)
where:
Base-Base interactions energy: -1124.120
where: short stacking energy: -503.620
Base-Backbone interact. energy: 0.671
local terms energy: -540.112254
where:
bonds (distance) C4'-P energy: -104.415
bonds (distance) P-C4' energy: -99.366
flat angles C4'-P-C4' energy: -115.831
flat angles P-C4'-P energy: -85.508
tors. eta vs tors. theta energy: -134.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1577.630221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.630221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.630221 (E_RNA)
where:
Base-Base interactions energy: -1081.237
where: short stacking energy: -469.029
Base-Backbone interact. energy: -0.387
local terms energy: -496.005822
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -105.048
flat angles C4'-P-C4' energy: -118.339
flat angles P-C4'-P energy: -76.679
tors. eta vs tors. theta energy: -124.829
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: 120
Temperature: 1.150000
Total energy: -1465.483545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.483545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.483545 (E_RNA)
where:
Base-Base interactions energy: -980.884
where: short stacking energy: -427.355
Base-Backbone interact. energy: 1.186
local terms energy: -485.785382
where:
bonds (distance) C4'-P energy: -89.596
bonds (distance) P-C4' energy: -104.785
flat angles C4'-P-C4' energy: -102.477
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -115.863
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: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1421.307276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.307276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.307276 (E_RNA)
where:
Base-Base interactions energy: -942.106
where: short stacking energy: -396.130
Base-Backbone interact. energy: -2.864
local terms energy: -476.337025
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -104.857
flat angles C4'-P-C4' energy: -100.362
flat angles P-C4'-P energy: -63.888
tors. eta vs tors. theta energy: -115.901
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: 120
Temperature: 1.250000
Total energy: -1258.703509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.703509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.703509 (E_RNA)
where:
Base-Base interactions energy: -823.751
where: short stacking energy: -372.430
Base-Backbone interact. energy: -0.497
local terms energy: -434.455659
where:
bonds (distance) C4'-P energy: -89.876
bonds (distance) P-C4' energy: -100.103
flat angles C4'-P-C4' energy: -100.504
flat angles P-C4'-P energy: -55.542
tors. eta vs tors. theta energy: -88.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -835.381282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.381282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.381282 (E_RNA)
where:
Base-Base interactions energy: -501.366
where: short stacking energy: -230.962
Base-Backbone interact. energy: -0.506
local terms energy: -333.509657
where:
bonds (distance) C4'-P energy: -94.824
bonds (distance) P-C4' energy: -101.372
flat angles C4'-P-C4' energy: -66.279
flat angles P-C4'-P energy: -48.830
tors. eta vs tors. theta energy: -22.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -498.496690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.496690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.496690 (E_RNA)
where:
Base-Base interactions energy: -227.000
where: short stacking energy: -160.933
Base-Backbone interact. energy: 0.331
local terms energy: -271.827435
where:
bonds (distance) C4'-P energy: -82.233
bonds (distance) P-C4' energy: -61.439
flat angles C4'-P-C4' energy: -81.318
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -3.514
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: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1882.849045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.849045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.849045 (E_RNA)
where:
Base-Base interactions energy: -1308.285
where: short stacking energy: -564.359
Base-Backbone interact. energy: -1.108
local terms energy: -573.456453
where:
bonds (distance) C4'-P energy: -99.410
bonds (distance) P-C4' energy: -107.580
flat angles C4'-P-C4' energy: -112.319
flat angles P-C4'-P energy: -87.713
tors. eta vs tors. theta energy: -166.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1790.202716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.202716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.202716 (E_RNA)
where:
Base-Base interactions energy: -1210.225
where: short stacking energy: -546.080
Base-Backbone interact. energy: -2.627
local terms energy: -577.350817
where:
bonds (distance) C4'-P energy: -111.558
bonds (distance) P-C4' energy: -105.176
flat angles C4'-P-C4' energy: -110.902
flat angles P-C4'-P energy: -84.918
tors. eta vs tors. theta energy: -164.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1797.031249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.031249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.031249 (E_RNA)
where:
Base-Base interactions energy: -1225.201
where: short stacking energy: -547.793
Base-Backbone interact. energy: -3.663
local terms energy: -568.166636
where:
bonds (distance) C4'-P energy: -86.940
bonds (distance) P-C4' energy: -111.893
flat angles C4'-P-C4' energy: -116.410
flat angles P-C4'-P energy: -85.114
tors. eta vs tors. theta energy: -167.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1703.622611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.622611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.622611 (E_RNA)
where:
Base-Base interactions energy: -1173.327
where: short stacking energy: -534.645
Base-Backbone interact. energy: -1.180
local terms energy: -529.116018
where:
bonds (distance) C4'-P energy: -86.132
bonds (distance) P-C4' energy: -90.200
flat angles C4'-P-C4' energy: -112.945
flat angles P-C4'-P energy: -81.527
tors. eta vs tors. theta energy: -158.312
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: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1622.651957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.651957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.651957 (E_RNA)
where:
Base-Base interactions energy: -1090.111
where: short stacking energy: -481.302
Base-Backbone interact. energy: -1.732
local terms energy: -530.809648
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -89.627
flat angles C4'-P-C4' energy: -109.970
flat angles P-C4'-P energy: -81.433
tors. eta vs tors. theta energy: -142.172
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: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1494.022723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.022723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.022723 (E_RNA)
where:
Base-Base interactions energy: -1001.448
where: short stacking energy: -446.196
Base-Backbone interact. energy: -2.735
local terms energy: -489.839259
where:
bonds (distance) C4'-P energy: -83.043
bonds (distance) P-C4' energy: -105.253
flat angles C4'-P-C4' energy: -105.271
flat angles P-C4'-P energy: -76.943
tors. eta vs tors. theta energy: -119.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1356.573728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.573728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.573728 (E_RNA)
where:
Base-Base interactions energy: -930.361
where: short stacking energy: -389.082
Base-Backbone interact. energy: -2.975
local terms energy: -423.237925
where:
bonds (distance) C4'-P energy: -90.508
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -102.815
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -94.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1307.043155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.043155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.043155 (E_RNA)
where:
Base-Base interactions energy: -872.587
where: short stacking energy: -372.204
Base-Backbone interact. energy: -2.507
local terms energy: -431.949307
where:
bonds (distance) C4'-P energy: -89.970
bonds (distance) P-C4' energy: -93.330
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -84.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -905.432435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.432435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.432435 (E_RNA)
where:
Base-Base interactions energy: -544.448
where: short stacking energy: -270.047
Base-Backbone interact. energy: 0.640
local terms energy: -361.624438
where:
bonds (distance) C4'-P energy: -97.008
bonds (distance) P-C4' energy: -98.693
flat angles C4'-P-C4' energy: -81.254
flat angles P-C4'-P energy: -51.057
tors. eta vs tors. theta energy: -33.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -523.741991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.741991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.741991 (E_RNA)
where:
Base-Base interactions energy: -230.238
where: short stacking energy: -156.129
Base-Backbone interact. energy: -1.707
local terms energy: -291.797459
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -77.967
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1862.306631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.306631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.306631 (E_RNA)
where:
Base-Base interactions energy: -1279.631
where: short stacking energy: -549.996
Base-Backbone interact. energy: -4.371
local terms energy: -578.304427
where:
bonds (distance) C4'-P energy: -102.647
bonds (distance) P-C4' energy: -100.340
flat angles C4'-P-C4' energy: -122.150
flat angles P-C4'-P energy: -93.173
tors. eta vs tors. theta energy: -159.995
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: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1786.102571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.102571 (E_RNA)
where:
Base-Base interactions energy: -1213.790
where: short stacking energy: -547.647
Base-Backbone interact. energy: 1.992
local terms energy: -574.304123
where:
bonds (distance) C4'-P energy: -101.334
bonds (distance) P-C4' energy: -106.733
flat angles C4'-P-C4' energy: -122.977
flat angles P-C4'-P energy: -77.391
tors. eta vs tors. theta energy: -165.869
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1799.785462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.785462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.785462 (E_RNA)
where:
Base-Base interactions energy: -1225.213
where: short stacking energy: -550.489
Base-Backbone interact. energy: -4.661
local terms energy: -569.911192
where:
bonds (distance) C4'-P energy: -106.129
bonds (distance) P-C4' energy: -109.157
flat angles C4'-P-C4' energy: -111.652
flat angles P-C4'-P energy: -80.821
tors. eta vs tors. theta energy: -162.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1704.330294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.330294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.330294 (E_RNA)
where:
Base-Base interactions energy: -1149.418
where: short stacking energy: -519.433
Base-Backbone interact. energy: -2.047
local terms energy: -552.865342
where:
bonds (distance) C4'-P energy: -98.760
bonds (distance) P-C4' energy: -102.180
flat angles C4'-P-C4' energy: -105.271
flat angles P-C4'-P energy: -86.916
tors. eta vs tors. theta energy: -159.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1622.649524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.649524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.649524 (E_RNA)
where:
Base-Base interactions energy: -1091.296
where: short stacking energy: -477.512
Base-Backbone interact. energy: -1.497
local terms energy: -529.856534
where:
bonds (distance) C4'-P energy: -100.536
bonds (distance) P-C4' energy: -108.264
flat angles C4'-P-C4' energy: -113.594
flat angles P-C4'-P energy: -63.382
tors. eta vs tors. theta energy: -144.081
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: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1516.811709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.811709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.811709 (E_RNA)
where:
Base-Base interactions energy: -992.069
where: short stacking energy: -411.670
Base-Backbone interact. energy: -2.403
local terms energy: -522.339464
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -104.935
flat angles C4'-P-C4' energy: -111.367
flat angles P-C4'-P energy: -81.301
tors. eta vs tors. theta energy: -137.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1339.294767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.294767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.294767 (E_RNA)
where:
Base-Base interactions energy: -917.919
where: short stacking energy: -398.439
Base-Backbone interact. energy: -2.372
local terms energy: -419.004386
where:
bonds (distance) C4'-P energy: -86.169
bonds (distance) P-C4' energy: -83.520
flat angles C4'-P-C4' energy: -86.156
flat angles P-C4'-P energy: -64.060
tors. eta vs tors. theta energy: -99.099
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: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1313.669937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.669937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.669937 (E_RNA)
where:
Base-Base interactions energy: -885.161
where: short stacking energy: -370.864
Base-Backbone interact. energy: -1.469
local terms energy: -427.039032
where:
bonds (distance) C4'-P energy: -81.955
bonds (distance) P-C4' energy: -102.654
flat angles C4'-P-C4' energy: -94.764
flat angles P-C4'-P energy: -60.882
tors. eta vs tors. theta energy: -86.784
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: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -923.558913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.558913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.558913 (E_RNA)
where:
Base-Base interactions energy: -548.360
where: short stacking energy: -261.597
Base-Backbone interact. energy: -1.968
local terms energy: -373.231192
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -93.093
flat angles C4'-P-C4' energy: -100.955
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -40.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -556.878162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.878162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.878162 (E_RNA)
where:
Base-Base interactions energy: -229.600
where: short stacking energy: -157.818
Base-Backbone interact. energy: -1.240
local terms energy: -326.038183
where:
bonds (distance) C4'-P energy: -88.613
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -84.697
flat angles P-C4'-P energy: -54.609
tors. eta vs tors. theta energy: 5.585
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: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1897.348815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.348815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.348815 (E_RNA)
where:
Base-Base interactions energy: -1300.772
where: short stacking energy: -556.424
Base-Backbone interact. energy: -3.135
local terms energy: -593.441941
where:
bonds (distance) C4'-P energy: -106.814
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -126.340
flat angles P-C4'-P energy: -84.903
tors. eta vs tors. theta energy: -167.075
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1829.251996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.251996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.251996 (E_RNA)
where:
Base-Base interactions energy: -1258.352
where: short stacking energy: -560.766
Base-Backbone interact. energy: -3.073
local terms energy: -567.826158
where:
bonds (distance) C4'-P energy: -95.554
bonds (distance) P-C4' energy: -112.369
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -164.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1738.478676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.478676 (E_RNA)
where:
Base-Base interactions energy: -1196.942
where: short stacking energy: -547.244
Base-Backbone interact. energy: -0.604
local terms energy: -540.932140
where:
bonds (distance) C4'-P energy: -97.351
bonds (distance) P-C4' energy: -91.169
flat angles C4'-P-C4' energy: -113.714
flat angles P-C4'-P energy: -77.933
tors. eta vs tors. theta energy: -160.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1727.602111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.602111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.602111 (E_RNA)
where:
Base-Base interactions energy: -1181.129
where: short stacking energy: -524.891
Base-Backbone interact. energy: -0.107
local terms energy: -546.365561
where:
bonds (distance) C4'-P energy: -93.831
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -115.373
flat angles P-C4'-P energy: -67.487
tors. eta vs tors. theta energy: -160.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1641.115092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.115092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.115092 (E_RNA)
where:
Base-Base interactions energy: -1123.298
where: short stacking energy: -477.168
Base-Backbone interact. energy: -3.972
local terms energy: -513.845060
where:
bonds (distance) C4'-P energy: -82.800
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -126.859
flat angles P-C4'-P energy: -71.199
tors. eta vs tors. theta energy: -128.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1519.782097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.782097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.782097 (E_RNA)
where:
Base-Base interactions energy: -1038.308
where: short stacking energy: -431.409
Base-Backbone interact. energy: -1.368
local terms energy: -480.105469
where:
bonds (distance) C4'-P energy: -91.933
bonds (distance) P-C4' energy: -102.631
flat angles C4'-P-C4' energy: -100.514
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: -128.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1301.177515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.177515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.177515 (E_RNA)
where:
Base-Base interactions energy: -866.269
where: short stacking energy: -378.356
Base-Backbone interact. energy: -2.819
local terms energy: -432.089878
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -90.873
flat angles P-C4'-P energy: -70.722
tors. eta vs tors. theta energy: -93.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1353.894971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.894971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.894971 (E_RNA)
where:
Base-Base interactions energy: -881.100
where: short stacking energy: -391.937
Base-Backbone interact. energy: -0.733
local terms energy: -472.062212
where:
bonds (distance) C4'-P energy: -99.274
bonds (distance) P-C4' energy: -98.820
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -102.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -948.439396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.439396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.439396 (E_RNA)
where:
Base-Base interactions energy: -605.282
where: short stacking energy: -247.337
Base-Backbone interact. energy: -0.653
local terms energy: -342.504032
where:
bonds (distance) C4'-P energy: -79.438
bonds (distance) P-C4' energy: -86.638
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -59.043
tors. eta vs tors. theta energy: -43.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -530.018718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.018718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.018718 (E_RNA)
where:
Base-Base interactions energy: -242.716
where: short stacking energy: -134.043
Base-Backbone interact. energy: 2.512
local terms energy: -289.814865
where:
bonds (distance) C4'-P energy: -89.843
bonds (distance) P-C4' energy: -87.872
flat angles C4'-P-C4' energy: -85.620
flat angles P-C4'-P energy: -50.736
tors. eta vs tors. theta energy: 24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1877.063234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.063234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.063234 (E_RNA)
where:
Base-Base interactions energy: -1286.875
where: short stacking energy: -575.766
Base-Backbone interact. energy: -1.265
local terms energy: -588.923513
where:
bonds (distance) C4'-P energy: -108.133
bonds (distance) P-C4' energy: -116.905
flat angles C4'-P-C4' energy: -113.767
flat angles P-C4'-P energy: -90.568
tors. eta vs tors. theta energy: -159.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1849.478321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.478321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.478321 (E_RNA)
where:
Base-Base interactions energy: -1252.635
where: short stacking energy: -549.705
Base-Backbone interact. energy: -4.155
local terms energy: -592.688640
where:
bonds (distance) C4'-P energy: -111.117
bonds (distance) P-C4' energy: -110.915
flat angles C4'-P-C4' energy: -126.340
flat angles P-C4'-P energy: -80.112
tors. eta vs tors. theta energy: -164.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1749.290002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.290002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.290002 (E_RNA)
where:
Base-Base interactions energy: -1188.913
where: short stacking energy: -537.330
Base-Backbone interact. energy: -3.202
local terms energy: -557.175031
where:
bonds (distance) C4'-P energy: -104.767
bonds (distance) P-C4' energy: -107.054
flat angles C4'-P-C4' energy: -111.769
flat angles P-C4'-P energy: -81.490
tors. eta vs tors. theta energy: -152.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1686.832306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.832306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.832306 (E_RNA)
where:
Base-Base interactions energy: -1162.272
where: short stacking energy: -528.745
Base-Backbone interact. energy: -1.062
local terms energy: -523.497356
where:
bonds (distance) C4'-P energy: -81.933
bonds (distance) P-C4' energy: -93.624
flat angles C4'-P-C4' energy: -115.923
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -160.136
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: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1619.840658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.840658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.840658 (E_RNA)
where:
Base-Base interactions energy: -1115.047
where: short stacking energy: -485.464
Base-Backbone interact. energy: -1.416
local terms energy: -503.377143
where:
bonds (distance) C4'-P energy: -93.040
bonds (distance) P-C4' energy: -93.448
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -72.615
tors. eta vs tors. theta energy: -127.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1498.864012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.864012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.864012 (E_RNA)
where:
Base-Base interactions energy: -1027.636
where: short stacking energy: -447.195
Base-Backbone interact. energy: -1.025
local terms energy: -470.202755
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -89.386
flat angles C4'-P-C4' energy: -98.509
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -114.863
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: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1356.536640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.536640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.536640 (E_RNA)
where:
Base-Base interactions energy: -888.394
where: short stacking energy: -384.501
Base-Backbone interact. energy: -0.485
local terms energy: -467.657931
where:
bonds (distance) C4'-P energy: -88.066
bonds (distance) P-C4' energy: -102.775
flat angles C4'-P-C4' energy: -117.573
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -98.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1328.420644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.420644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.420644 (E_RNA)
where:
Base-Base interactions energy: -889.255
where: short stacking energy: -382.815
Base-Backbone interact. energy: -1.196
local terms energy: -437.970380
where:
bonds (distance) C4'-P energy: -88.495
bonds (distance) P-C4' energy: -104.128
flat angles C4'-P-C4' energy: -93.657
flat angles P-C4'-P energy: -64.449
tors. eta vs tors. theta energy: -87.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -899.525415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.525415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.525415 (E_RNA)
where:
Base-Base interactions energy: -545.850
where: short stacking energy: -229.527
Base-Backbone interact. energy: -4.122
local terms energy: -349.553549
where:
bonds (distance) C4'-P energy: -84.659
bonds (distance) P-C4' energy: -93.543
flat angles C4'-P-C4' energy: -80.152
flat angles P-C4'-P energy: -48.174
tors. eta vs tors. theta energy: -43.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -528.065896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.065896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.065896 (E_RNA)
where:
Base-Base interactions energy: -219.545
where: short stacking energy: -138.116
Base-Backbone interact. energy: -2.777
local terms energy: -305.743825
where:
bonds (distance) C4'-P energy: -89.928
bonds (distance) P-C4' energy: -104.301
flat angles C4'-P-C4' energy: -74.955
flat angles P-C4'-P energy: -45.695
tors. eta vs tors. theta energy: 9.135
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1900.148968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.148968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.148968 (E_RNA)
where:
Base-Base interactions energy: -1299.767
where: short stacking energy: -590.927
Base-Backbone interact. energy: 0.081
local terms energy: -600.462944
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -104.388
flat angles C4'-P-C4' energy: -127.383
flat angles P-C4'-P energy: -84.706
tors. eta vs tors. theta energy: -170.753
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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1839.384364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.384364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.384364 (E_RNA)
where:
Base-Base interactions energy: -1273.062
where: short stacking energy: -545.240
Base-Backbone interact. energy: -0.975
local terms energy: -565.347697
where:
bonds (distance) C4'-P energy: -113.845
bonds (distance) P-C4' energy: -101.460
flat angles C4'-P-C4' energy: -115.426
flat angles P-C4'-P energy: -79.504
tors. eta vs tors. theta energy: -155.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1718.640228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.640228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.640228 (E_RNA)
where:
Base-Base interactions energy: -1149.678
where: short stacking energy: -518.964
Base-Backbone interact. energy: -1.512
local terms energy: -567.450732
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -114.388
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -65.323
tors. eta vs tors. theta energy: -162.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1701.051433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.051433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.051433 (E_RNA)
where:
Base-Base interactions energy: -1133.731
where: short stacking energy: -491.961
Base-Backbone interact. energy: -2.732
local terms energy: -564.587980
where:
bonds (distance) C4'-P energy: -115.676
bonds (distance) P-C4' energy: -107.977
flat angles C4'-P-C4' energy: -117.066
flat angles P-C4'-P energy: -70.642
tors. eta vs tors. theta energy: -153.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1597.993085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.993085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.993085 (E_RNA)
where:
Base-Base interactions energy: -1080.194
where: short stacking energy: -476.700
Base-Backbone interact. energy: -1.538
local terms energy: -516.260757
where:
bonds (distance) C4'-P energy: -96.879
bonds (distance) P-C4' energy: -104.059
flat angles C4'-P-C4' energy: -102.505
flat angles P-C4'-P energy: -72.521
tors. eta vs tors. theta energy: -140.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1533.216621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.216621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.216621 (E_RNA)
where:
Base-Base interactions energy: -1046.745
where: short stacking energy: -443.120
Base-Backbone interact. energy: -1.037
local terms energy: -485.433853
where:
bonds (distance) C4'-P energy: -80.584
bonds (distance) P-C4' energy: -98.511
flat angles C4'-P-C4' energy: -111.892
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -132.358
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1345.005073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.005073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.005073 (E_RNA)
where:
Base-Base interactions energy: -868.355
where: short stacking energy: -387.497
Base-Backbone interact. energy: -1.508
local terms energy: -475.142142
where:
bonds (distance) C4'-P energy: -107.247
bonds (distance) P-C4' energy: -106.117
flat angles C4'-P-C4' energy: -97.467
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -97.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1259.726553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.726553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.726553 (E_RNA)
where:
Base-Base interactions energy: -864.881
where: short stacking energy: -386.098
Base-Backbone interact. energy: -1.649
local terms energy: -393.196366
where:
bonds (distance) C4'-P energy: -82.183
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -95.825
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -90.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -948.067649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.067649 (E_RNA)
where:
Base-Base interactions energy: -589.712
where: short stacking energy: -278.510
Base-Backbone interact. energy: 2.440
local terms energy: -360.795638
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -89.767
flat angles C4'-P-C4' energy: -83.858
flat angles P-C4'-P energy: -64.876
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -546.858340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.858340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.858340 (E_RNA)
where:
Base-Base interactions energy: -243.431
where: short stacking energy: -158.856
Base-Backbone interact. energy: 4.424
local terms energy: -307.851866
where:
bonds (distance) C4'-P energy: -87.030
bonds (distance) P-C4' energy: -85.579
flat angles C4'-P-C4' energy: -77.620
flat angles P-C4'-P energy: -49.080
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1912.907925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.907925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.907925 (E_RNA)
where:
Base-Base interactions energy: -1303.563
where: short stacking energy: -563.616
Base-Backbone interact. energy: -5.052
local terms energy: -604.293686
where:
bonds (distance) C4'-P energy: -112.190
bonds (distance) P-C4' energy: -109.715
flat angles C4'-P-C4' energy: -117.029
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -172.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1872.382081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.382081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.382081 (E_RNA)
where:
Base-Base interactions energy: -1297.265
where: short stacking energy: -571.727
Base-Backbone interact. energy: -3.112
local terms energy: -572.005141
where:
bonds (distance) C4'-P energy: -103.482
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -118.389
flat angles P-C4'-P energy: -85.992
tors. eta vs tors. theta energy: -170.653
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: 126
Temperature: 1.000000
Total energy: -1711.200806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.200806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.200806 (E_RNA)
where:
Base-Base interactions energy: -1163.510
where: short stacking energy: -499.226
Base-Backbone interact. energy: -2.090
local terms energy: -545.600957
where:
bonds (distance) C4'-P energy: -111.226
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -105.548
flat angles P-C4'-P energy: -77.418
tors. eta vs tors. theta energy: -149.906
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: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1708.980406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.980406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.980406 (E_RNA)
where:
Base-Base interactions energy: -1170.160
where: short stacking energy: -523.561
Base-Backbone interact. energy: 0.393
local terms energy: -539.213583
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -117.718
flat angles P-C4'-P energy: -84.407
tors. eta vs tors. theta energy: -162.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1621.857364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.857364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.857364 (E_RNA)
where:
Base-Base interactions energy: -1110.985
where: short stacking energy: -471.157
Base-Backbone interact. energy: -2.399
local terms energy: -508.474250
where:
bonds (distance) C4'-P energy: -84.066
bonds (distance) P-C4' energy: -95.431
flat angles C4'-P-C4' energy: -109.426
flat angles P-C4'-P energy: -73.382
tors. eta vs tors. theta energy: -146.169
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1520.118592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.118592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.118592 (E_RNA)
where:
Base-Base interactions energy: -1041.896
where: short stacking energy: -451.365
Base-Backbone interact. energy: -2.950
local terms energy: -475.272599
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -81.077
flat angles C4'-P-C4' energy: -98.065
flat angles P-C4'-P energy: -75.224
tors. eta vs tors. theta energy: -132.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1342.844333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.844333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.844333 (E_RNA)
where:
Base-Base interactions energy: -886.231
where: short stacking energy: -387.374
Base-Backbone interact. energy: -1.376
local terms energy: -455.237547
where:
bonds (distance) C4'-P energy: -93.545
bonds (distance) P-C4' energy: -87.170
flat angles C4'-P-C4' energy: -99.954
flat angles P-C4'-P energy: -79.658
tors. eta vs tors. theta energy: -94.911
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1304.484719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.484719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.484719 (E_RNA)
where:
Base-Base interactions energy: -872.774
where: short stacking energy: -384.777
Base-Backbone interact. energy: 1.093
local terms energy: -432.804365
where:
bonds (distance) C4'-P energy: -87.313
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -105.090
flat angles P-C4'-P energy: -54.364
tors. eta vs tors. theta energy: -99.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1089.859990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.859990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.859990 (E_RNA)
where:
Base-Base interactions energy: -698.368
where: short stacking energy: -313.027
Base-Backbone interact. energy: -0.958
local terms energy: -390.533754
where:
bonds (distance) C4'-P energy: -82.345
bonds (distance) P-C4' energy: -94.595
flat angles C4'-P-C4' energy: -91.550
flat angles P-C4'-P energy: -52.314
tors. eta vs tors. theta energy: -69.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -566.608704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.608704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.608704 (E_RNA)
where:
Base-Base interactions energy: -267.197
where: short stacking energy: -171.999
Base-Backbone interact. energy: 0.230
local terms energy: -299.642039
where:
bonds (distance) C4'-P energy: -83.273
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1915.852551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.852551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.852551 (E_RNA)
where:
Base-Base interactions energy: -1320.641
where: short stacking energy: -583.256
Base-Backbone interact. energy: -1.556
local terms energy: -593.656087
where:
bonds (distance) C4'-P energy: -121.514
bonds (distance) P-C4' energy: -110.968
flat angles C4'-P-C4' energy: -117.756
flat angles P-C4'-P energy: -79.285
tors. eta vs tors. theta energy: -164.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1849.498706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.498706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.498706 (E_RNA)
where:
Base-Base interactions energy: -1262.400
where: short stacking energy: -552.835
Base-Backbone interact. energy: -2.483
local terms energy: -584.614882
where:
bonds (distance) C4'-P energy: -103.472
bonds (distance) P-C4' energy: -108.828
flat angles C4'-P-C4' energy: -124.057
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -163.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1739.183173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.183173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.183173 (E_RNA)
where:
Base-Base interactions energy: -1207.851
where: short stacking energy: -535.277
Base-Backbone interact. energy: 3.659
local terms energy: -534.991291
where:
bonds (distance) C4'-P energy: -105.036
bonds (distance) P-C4' energy: -94.092
flat angles C4'-P-C4' energy: -107.870
flat angles P-C4'-P energy: -76.258
tors. eta vs tors. theta energy: -151.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1715.592818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.592818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.592818 (E_RNA)
where:
Base-Base interactions energy: -1167.570
where: short stacking energy: -526.529
Base-Backbone interact. energy: -2.281
local terms energy: -545.741634
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -104.229
flat angles C4'-P-C4' energy: -116.677
flat angles P-C4'-P energy: -68.872
tors. eta vs tors. theta energy: -155.961
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: 127
Temperature: 1.100000
Total energy: -1610.757860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.757860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.757860 (E_RNA)
where:
Base-Base interactions energy: -1096.098
where: short stacking energy: -476.803
Base-Backbone interact. energy: 1.285
local terms energy: -515.944211
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -117.282
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -147.951
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: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1555.682293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.682293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.682293 (E_RNA)
where:
Base-Base interactions energy: -1063.017
where: short stacking energy: -454.287
Base-Backbone interact. energy: -1.401
local terms energy: -491.263609
where:
bonds (distance) C4'-P energy: -97.445
bonds (distance) P-C4' energy: -85.288
flat angles C4'-P-C4' energy: -113.801
flat angles P-C4'-P energy: -76.108
tors. eta vs tors. theta energy: -118.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1383.646642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.646642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.646642 (E_RNA)
where:
Base-Base interactions energy: -909.373
where: short stacking energy: -391.377
Base-Backbone interact. energy: -0.609
local terms energy: -473.664370
where:
bonds (distance) C4'-P energy: -105.998
bonds (distance) P-C4' energy: -105.083
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -100.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1343.828043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.828043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.828043 (E_RNA)
where:
Base-Base interactions energy: -919.645
where: short stacking energy: -401.215
Base-Backbone interact. energy: -0.500
local terms energy: -423.683298
where:
bonds (distance) C4'-P energy: -81.609
bonds (distance) P-C4' energy: -76.705
flat angles C4'-P-C4' energy: -97.997
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -104.568
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1078.727419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.727419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.727419 (E_RNA)
where:
Base-Base interactions energy: -679.750
where: short stacking energy: -301.886
Base-Backbone interact. energy: -2.246
local terms energy: -396.731687
where:
bonds (distance) C4'-P energy: -89.562
bonds (distance) P-C4' energy: -95.158
flat angles C4'-P-C4' energy: -92.381
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -72.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -501.063929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.063929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.063929 (E_RNA)
where:
Base-Base interactions energy: -189.345
where: short stacking energy: -127.850
Base-Backbone interact. energy: 0.467
local terms energy: -312.186232
where:
bonds (distance) C4'-P energy: -98.519
bonds (distance) P-C4' energy: -101.526
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: 15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1893.624094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.624094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.624094 (E_RNA)
where:
Base-Base interactions energy: -1300.347
where: short stacking energy: -569.087
Base-Backbone interact. energy: -3.359
local terms energy: -589.917830
where:
bonds (distance) C4'-P energy: -108.258
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -125.799
flat angles P-C4'-P energy: -78.468
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: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1859.210852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.210852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.210852 (E_RNA)
where:
Base-Base interactions energy: -1272.096
where: short stacking energy: -566.772
Base-Backbone interact. energy: -2.843
local terms energy: -584.271305
where:
bonds (distance) C4'-P energy: -105.061
bonds (distance) P-C4' energy: -105.875
flat angles C4'-P-C4' energy: -115.872
flat angles P-C4'-P energy: -82.403
tors. eta vs tors. theta energy: -175.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1713.423729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.423729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.423729 (E_RNA)
where:
Base-Base interactions energy: -1186.503
where: short stacking energy: -531.607
Base-Backbone interact. energy: 1.024
local terms energy: -527.944511
where:
bonds (distance) C4'-P energy: -108.492
bonds (distance) P-C4' energy: -104.987
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -142.277
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: 128
Temperature: 1.050000
Total energy: -1672.391904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.391904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.391904 (E_RNA)
where:
Base-Base interactions energy: -1150.522
where: short stacking energy: -499.400
Base-Backbone interact. energy: 2.229
local terms energy: -524.098961
where:
bonds (distance) C4'-P energy: -87.615
bonds (distance) P-C4' energy: -98.307
flat angles C4'-P-C4' energy: -123.370
flat angles P-C4'-P energy: -69.331
tors. eta vs tors. theta energy: -145.475
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: 128
Temperature: 1.100000
Total energy: -1605.498661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.498661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.498661 (E_RNA)
where:
Base-Base interactions energy: -1091.433
where: short stacking energy: -509.418
Base-Backbone interact. energy: 2.504
local terms energy: -516.570247
where:
bonds (distance) C4'-P energy: -91.211
bonds (distance) P-C4' energy: -107.728
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -65.610
tors. eta vs tors. theta energy: -141.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1521.085000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.085000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.085000 (E_RNA)
where:
Base-Base interactions energy: -1023.836
where: short stacking energy: -448.103
Base-Backbone interact. energy: -0.710
local terms energy: -496.538499
where:
bonds (distance) C4'-P energy: -87.116
bonds (distance) P-C4' energy: -102.198
flat angles C4'-P-C4' energy: -110.309
flat angles P-C4'-P energy: -76.562
tors. eta vs tors. theta energy: -120.354
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1362.049148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.049148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.049148 (E_RNA)
where:
Base-Base interactions energy: -915.905
where: short stacking energy: -390.105
Base-Backbone interact. energy: 1.716
local terms energy: -447.859937
where:
bonds (distance) C4'-P energy: -93.406
bonds (distance) P-C4' energy: -90.255
flat angles C4'-P-C4' energy: -94.340
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -106.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1281.626313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.626313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.626313 (E_RNA)
where:
Base-Base interactions energy: -841.859
where: short stacking energy: -359.942
Base-Backbone interact. energy: 2.441
local terms energy: -442.207553
where:
bonds (distance) C4'-P energy: -89.301
bonds (distance) P-C4' energy: -110.253
flat angles C4'-P-C4' energy: -94.099
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -85.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1028.369969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.369969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.369969 (E_RNA)
where:
Base-Base interactions energy: -652.936
where: short stacking energy: -299.735
Base-Backbone interact. energy: 2.835
local terms energy: -378.268817
where:
bonds (distance) C4'-P energy: -90.190
bonds (distance) P-C4' energy: -72.950
flat angles C4'-P-C4' energy: -84.868
flat angles P-C4'-P energy: -57.164
tors. eta vs tors. theta energy: -73.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -503.614832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.614832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.614832 (E_RNA)
where:
Base-Base interactions energy: -211.074
where: short stacking energy: -153.566
Base-Backbone interact. energy: -4.211
local terms energy: -288.329604
where:
bonds (distance) C4'-P energy: -88.037
bonds (distance) P-C4' energy: -79.161
flat angles C4'-P-C4' energy: -76.081
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1887.099660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.099660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.099660 (E_RNA)
where:
Base-Base interactions energy: -1299.948
where: short stacking energy: -569.525
Base-Backbone interact. energy: -1.594
local terms energy: -585.556826
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -91.202
flat angles C4'-P-C4' energy: -128.016
flat angles P-C4'-P energy: -88.796
tors. eta vs tors. theta energy: -170.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1848.219269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.219269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.219269 (E_RNA)
where:
Base-Base interactions energy: -1270.720
where: short stacking energy: -546.166
Base-Backbone interact. energy: -1.417
local terms energy: -576.082329
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -105.557
flat angles C4'-P-C4' energy: -119.875
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -164.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1707.501210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.501210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.501210 (E_RNA)
where:
Base-Base interactions energy: -1155.923
where: short stacking energy: -511.745
Base-Backbone interact. energy: -1.341
local terms energy: -550.237452
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -105.847
flat angles C4'-P-C4' energy: -114.055
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -144.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1649.668454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.668454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.668454 (E_RNA)
where:
Base-Base interactions energy: -1102.859
where: short stacking energy: -495.749
Base-Backbone interact. energy: -1.194
local terms energy: -545.615064
where:
bonds (distance) C4'-P energy: -93.435
bonds (distance) P-C4' energy: -102.687
flat angles C4'-P-C4' energy: -115.990
flat angles P-C4'-P energy: -89.387
tors. eta vs tors. theta energy: -144.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1611.949615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.949615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.949615 (E_RNA)
where:
Base-Base interactions energy: -1111.275
where: short stacking energy: -478.662
Base-Backbone interact. energy: 4.469
local terms energy: -505.143593
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -82.852
flat angles C4'-P-C4' energy: -113.381
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -141.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1510.539944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.539944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.539944 (E_RNA)
where:
Base-Base interactions energy: -1040.742
where: short stacking energy: -449.561
Base-Backbone interact. energy: 1.242
local terms energy: -471.039935
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -72.569
tors. eta vs tors. theta energy: -115.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1396.591821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.591821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.591821 (E_RNA)
where:
Base-Base interactions energy: -932.076
where: short stacking energy: -388.000
Base-Backbone interact. energy: 0.319
local terms energy: -464.834571
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -89.471
flat angles C4'-P-C4' energy: -113.391
flat angles P-C4'-P energy: -74.731
tors. eta vs tors. theta energy: -98.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1248.488701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.488701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.488701 (E_RNA)
where:
Base-Base interactions energy: -852.723
where: short stacking energy: -359.297
Base-Backbone interact. energy: -1.981
local terms energy: -393.784628
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -102.161
flat angles C4'-P-C4' energy: -73.375
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -91.824
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: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1019.171318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.171318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.171318 (E_RNA)
where:
Base-Base interactions energy: -648.765
where: short stacking energy: -291.153
Base-Backbone interact. energy: -0.982
local terms energy: -369.424343
where:
bonds (distance) C4'-P energy: -74.519
bonds (distance) P-C4' energy: -93.368
flat angles C4'-P-C4' energy: -87.038
flat angles P-C4'-P energy: -59.958
tors. eta vs tors. theta energy: -54.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -512.654807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.654807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.654807 (E_RNA)
where:
Base-Base interactions energy: -235.042
where: short stacking energy: -156.422
Base-Backbone interact. energy: -0.772
local terms energy: -276.840736
where:
bonds (distance) C4'-P energy: -79.177
bonds (distance) P-C4' energy: -73.647
flat angles C4'-P-C4' energy: -62.331
flat angles P-C4'-P energy: -55.552
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1913.124178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.124178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.124178 (E_RNA)
where:
Base-Base interactions energy: -1314.887
where: short stacking energy: -573.810
Base-Backbone interact. energy: -4.242
local terms energy: -593.995112
where:
bonds (distance) C4'-P energy: -106.887
bonds (distance) P-C4' energy: -106.852
flat angles C4'-P-C4' energy: -119.456
flat angles P-C4'-P energy: -91.339
tors. eta vs tors. theta energy: -169.462
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: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1841.458236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.458236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.458236 (E_RNA)
where:
Base-Base interactions energy: -1257.642
where: short stacking energy: -549.843
Base-Backbone interact. energy: -3.282
local terms energy: -580.533886
where:
bonds (distance) C4'-P energy: -101.779
bonds (distance) P-C4' energy: -111.761
flat angles C4'-P-C4' energy: -113.849
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -175.450
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1723.070594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.070594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.070594 (E_RNA)
where:
Base-Base interactions energy: -1196.377
where: short stacking energy: -534.245
Base-Backbone interact. energy: -1.658
local terms energy: -525.035487
where:
bonds (distance) C4'-P energy: -101.355
bonds (distance) P-C4' energy: -100.920
flat angles C4'-P-C4' energy: -113.274
flat angles P-C4'-P energy: -61.364
tors. eta vs tors. theta energy: -148.122
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: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1649.785062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.785062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.785062 (E_RNA)
where:
Base-Base interactions energy: -1130.350
where: short stacking energy: -508.809
Base-Backbone interact. energy: -0.652
local terms energy: -518.782451
where:
bonds (distance) C4'-P energy: -100.679
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -81.638
tors. eta vs tors. theta energy: -144.609
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: 130
Temperature: 1.100000
Total energy: -1633.354016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.354016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.354016 (E_RNA)
where:
Base-Base interactions energy: -1142.559
where: short stacking energy: -468.869
Base-Backbone interact. energy: 2.826
local terms energy: -493.620970
where:
bonds (distance) C4'-P energy: -94.439
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -109.112
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -138.865
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: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1525.327452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.327452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.327452 (E_RNA)
where:
Base-Base interactions energy: -1032.880
where: short stacking energy: -443.839
Base-Backbone interact. energy: 3.925
local terms energy: -496.372709
where:
bonds (distance) C4'-P energy: -98.036
bonds (distance) P-C4' energy: -99.783
flat angles C4'-P-C4' energy: -99.848
flat angles P-C4'-P energy: -86.045
tors. eta vs tors. theta energy: -112.661
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1382.873923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.873923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.873923 (E_RNA)
where:
Base-Base interactions energy: -931.653
where: short stacking energy: -396.726
Base-Backbone interact. energy: 0.546
local terms energy: -451.766751
where:
bonds (distance) C4'-P energy: -87.779
bonds (distance) P-C4' energy: -88.074
flat angles C4'-P-C4' energy: -99.555
flat angles P-C4'-P energy: -68.484
tors. eta vs tors. theta energy: -107.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1281.809686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.809686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.809686 (E_RNA)
where:
Base-Base interactions energy: -875.964
where: short stacking energy: -371.782
Base-Backbone interact. energy: -2.539
local terms energy: -403.306331
where:
bonds (distance) C4'-P energy: -72.989
bonds (distance) P-C4' energy: -83.758
flat angles C4'-P-C4' energy: -90.817
flat angles P-C4'-P energy: -54.328
tors. eta vs tors. theta energy: -101.414
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1019.774753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.774753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.774753 (E_RNA)
where:
Base-Base interactions energy: -648.394
where: short stacking energy: -282.836
Base-Backbone interact. energy: -2.125
local terms energy: -369.256013
where:
bonds (distance) C4'-P energy: -88.280
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -66.921
tors. eta vs tors. theta energy: -52.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -529.683537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.683537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.683537 (E_RNA)
where:
Base-Base interactions energy: -244.365
where: short stacking energy: -161.877
Base-Backbone interact. energy: 6.086
local terms energy: -291.404881
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -95.205
flat angles C4'-P-C4' energy: -79.583
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: 2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1898.520845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.520845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.520845 (E_RNA)
where:
Base-Base interactions energy: -1322.770
where: short stacking energy: -580.700
Base-Backbone interact. energy: 0.873
local terms energy: -576.623602
where:
bonds (distance) C4'-P energy: -99.462
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -111.865
flat angles P-C4'-P energy: -89.776
tors. eta vs tors. theta energy: -164.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1865.404585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.404585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.404585 (E_RNA)
where:
Base-Base interactions energy: -1281.883
where: short stacking energy: -551.915
Base-Backbone interact. energy: 1.084
local terms energy: -584.604885
where:
bonds (distance) C4'-P energy: -110.265
bonds (distance) P-C4' energy: -97.983
flat angles C4'-P-C4' energy: -124.303
flat angles P-C4'-P energy: -88.826
tors. eta vs tors. theta energy: -163.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1728.072391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.072391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.072391 (E_RNA)
where:
Base-Base interactions energy: -1170.994
where: short stacking energy: -521.736
Base-Backbone interact. energy: -2.159
local terms energy: -554.919731
where:
bonds (distance) C4'-P energy: -103.456
bonds (distance) P-C4' energy: -102.429
flat angles C4'-P-C4' energy: -123.409
flat angles P-C4'-P energy: -73.395
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: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1675.725327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.725327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.725327 (E_RNA)
where:
Base-Base interactions energy: -1163.692
where: short stacking energy: -501.846
Base-Backbone interact. energy: 0.115
local terms energy: -512.147349
where:
bonds (distance) C4'-P energy: -99.288
bonds (distance) P-C4' energy: -83.117
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -75.690
tors. eta vs tors. theta energy: -144.176
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: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1642.968135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.968135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.968135 (E_RNA)
where:
Base-Base interactions energy: -1125.198
where: short stacking energy: -493.100
Base-Backbone interact. energy: -1.492
local terms energy: -516.277817
where:
bonds (distance) C4'-P energy: -93.262
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -121.352
flat angles P-C4'-P energy: -74.533
tors. eta vs tors. theta energy: -137.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1537.064835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.064835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.064835 (E_RNA)
where:
Base-Base interactions energy: -1037.553
where: short stacking energy: -436.009
Base-Backbone interact. energy: -1.159
local terms energy: -498.353319
where:
bonds (distance) C4'-P energy: -81.903
bonds (distance) P-C4' energy: -103.847
flat angles C4'-P-C4' energy: -108.877
flat angles P-C4'-P energy: -72.747
tors. eta vs tors. theta energy: -130.979
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: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1417.851341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.851341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.851341 (E_RNA)
where:
Base-Base interactions energy: -950.211
where: short stacking energy: -414.708
Base-Backbone interact. energy: -1.290
local terms energy: -466.350747
where:
bonds (distance) C4'-P energy: -86.790
bonds (distance) P-C4' energy: -94.408
flat angles C4'-P-C4' energy: -106.504
flat angles P-C4'-P energy: -67.980
tors. eta vs tors. theta energy: -110.669
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: 131
Temperature: 1.250000
Total energy: -1306.448342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.448342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.448342 (E_RNA)
where:
Base-Base interactions energy: -880.509
where: short stacking energy: -396.070
Base-Backbone interact. energy: 2.674
local terms energy: -428.613190
where:
bonds (distance) C4'-P energy: -82.274
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -100.094
flat angles P-C4'-P energy: -63.331
tors. eta vs tors. theta energy: -104.809
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: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -997.971819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.971819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.971819 (E_RNA)
where:
Base-Base interactions energy: -644.264
where: short stacking energy: -280.591
Base-Backbone interact. energy: -0.061
local terms energy: -353.647009
where:
bonds (distance) C4'-P energy: -74.992
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -91.522
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -47.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -524.608037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.608037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.608037 (E_RNA)
where:
Base-Base interactions energy: -233.141
where: short stacking energy: -159.513
Base-Backbone interact. energy: -1.752
local terms energy: -289.715683
where:
bonds (distance) C4'-P energy: -82.439
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -67.878
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1911.715372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.715372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.715372 (E_RNA)
where:
Base-Base interactions energy: -1317.003
where: short stacking energy: -570.525
Base-Backbone interact. energy: 3.474
local terms energy: -598.186330
where:
bonds (distance) C4'-P energy: -102.605
bonds (distance) P-C4' energy: -106.278
flat angles C4'-P-C4' energy: -133.637
flat angles P-C4'-P energy: -87.330
tors. eta vs tors. theta energy: -168.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1837.687173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.687173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.687173 (E_RNA)
where:
Base-Base interactions energy: -1251.513
where: short stacking energy: -551.558
Base-Backbone interact. energy: -0.134
local terms energy: -586.040721
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -111.472
flat angles C4'-P-C4' energy: -118.965
flat angles P-C4'-P energy: -88.659
tors. eta vs tors. theta energy: -160.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1728.687457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.687457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.687457 (E_RNA)
where:
Base-Base interactions energy: -1207.459
where: short stacking energy: -552.004
Base-Backbone interact. energy: -1.571
local terms energy: -519.657004
where:
bonds (distance) C4'-P energy: -100.737
bonds (distance) P-C4' energy: -76.899
flat angles C4'-P-C4' energy: -114.739
flat angles P-C4'-P energy: -70.083
tors. eta vs tors. theta energy: -157.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1651.255959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.255959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.255959 (E_RNA)
where:
Base-Base interactions energy: -1154.827
where: short stacking energy: -498.113
Base-Backbone interact. energy: -1.460
local terms energy: -494.969396
where:
bonds (distance) C4'-P energy: -75.933
bonds (distance) P-C4' energy: -101.367
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -76.020
tors. eta vs tors. theta energy: -138.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1622.514464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.514464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.514464 (E_RNA)
where:
Base-Base interactions energy: -1092.047
where: short stacking energy: -494.895
Base-Backbone interact. energy: -1.666
local terms energy: -528.801696
where:
bonds (distance) C4'-P energy: -97.580
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -106.806
flat angles P-C4'-P energy: -65.861
tors. eta vs tors. theta energy: -153.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1600.488409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.488409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.488409 (E_RNA)
where:
Base-Base interactions energy: -1087.944
where: short stacking energy: -481.708
Base-Backbone interact. energy: 3.058
local terms energy: -515.601532
where:
bonds (distance) C4'-P energy: -99.769
bonds (distance) P-C4' energy: -94.429
flat angles C4'-P-C4' energy: -111.887
flat angles P-C4'-P energy: -67.518
tors. eta vs tors. theta energy: -141.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1433.987951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.987951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.987951 (E_RNA)
where:
Base-Base interactions energy: -964.518
where: short stacking energy: -424.202
Base-Backbone interact. energy: 2.163
local terms energy: -471.632862
where:
bonds (distance) C4'-P energy: -96.798
bonds (distance) P-C4' energy: -99.089
flat angles C4'-P-C4' energy: -101.611
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -107.022
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: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1352.685479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.685479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.685479 (E_RNA)
where:
Base-Base interactions energy: -929.680
where: short stacking energy: -405.957
Base-Backbone interact. energy: 0.963
local terms energy: -423.969239
where:
bonds (distance) C4'-P energy: -80.076
bonds (distance) P-C4' energy: -79.351
flat angles C4'-P-C4' energy: -103.467
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -99.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -977.879993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.879993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.879993 (E_RNA)
where:
Base-Base interactions energy: -615.798
where: short stacking energy: -270.824
Base-Backbone interact. energy: 2.810
local terms energy: -364.892126
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -88.735
flat angles C4'-P-C4' energy: -86.304
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -42.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -568.869124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.869124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.869124 (E_RNA)
where:
Base-Base interactions energy: -276.936
where: short stacking energy: -144.631
Base-Backbone interact. energy: -0.981
local terms energy: -290.952160
where:
bonds (distance) C4'-P energy: -82.967
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: 12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1923.747357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.747357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.747357 (E_RNA)
where:
Base-Base interactions energy: -1339.311
where: short stacking energy: -561.723
Base-Backbone interact. energy: -3.806
local terms energy: -580.631130
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -106.620
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -79.845
tors. eta vs tors. theta energy: -167.268
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: 133
Temperature: 0.950000
Total energy: -1814.852107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.852107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.852107 (E_RNA)
where:
Base-Base interactions energy: -1230.785
where: short stacking energy: -530.547
Base-Backbone interact. energy: -2.318
local terms energy: -581.749325
where:
bonds (distance) C4'-P energy: -118.091
bonds (distance) P-C4' energy: -101.425
flat angles C4'-P-C4' energy: -124.416
flat angles P-C4'-P energy: -73.477
tors. eta vs tors. theta energy: -164.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1726.168679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.168679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.168679 (E_RNA)
where:
Base-Base interactions energy: -1181.554
where: short stacking energy: -525.049
Base-Backbone interact. energy: 0.637
local terms energy: -545.251624
where:
bonds (distance) C4'-P energy: -94.286
bonds (distance) P-C4' energy: -106.716
flat angles C4'-P-C4' energy: -120.280
flat angles P-C4'-P energy: -79.465
tors. eta vs tors. theta energy: -144.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1624.202348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.202348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.202348 (E_RNA)
where:
Base-Base interactions energy: -1123.144
where: short stacking energy: -506.031
Base-Backbone interact. energy: 4.701
local terms energy: -505.760057
where:
bonds (distance) C4'-P energy: -93.172
bonds (distance) P-C4' energy: -87.767
flat angles C4'-P-C4' energy: -111.021
flat angles P-C4'-P energy: -74.480
tors. eta vs tors. theta energy: -139.320
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1636.653127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.653127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.653127 (E_RNA)
where:
Base-Base interactions energy: -1126.687
where: short stacking energy: -486.267
Base-Backbone interact. energy: 1.127
local terms energy: -511.092328
where:
bonds (distance) C4'-P energy: -91.001
bonds (distance) P-C4' energy: -93.495
flat angles C4'-P-C4' energy: -100.362
flat angles P-C4'-P energy: -78.391
tors. eta vs tors. theta energy: -147.843
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: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1592.876947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.876947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.876947 (E_RNA)
where:
Base-Base interactions energy: -1092.490
where: short stacking energy: -482.126
Base-Backbone interact. energy: -1.135
local terms energy: -499.251967
where:
bonds (distance) C4'-P energy: -93.569
bonds (distance) P-C4' energy: -86.956
flat angles C4'-P-C4' energy: -101.090
flat angles P-C4'-P energy: -73.925
tors. eta vs tors. theta energy: -143.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1441.026458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.026458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.026458 (E_RNA)
where:
Base-Base interactions energy: -957.093
where: short stacking energy: -417.433
Base-Backbone interact. energy: -1.022
local terms energy: -482.911025
where:
bonds (distance) C4'-P energy: -99.643
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -109.140
flat angles P-C4'-P energy: -70.776
tors. eta vs tors. theta energy: -115.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1344.878210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.878210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.878210 (E_RNA)
where:
Base-Base interactions energy: -883.874
where: short stacking energy: -363.073
Base-Backbone interact. energy: -5.385
local terms energy: -455.619148
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -90.826
flat angles C4'-P-C4' energy: -93.589
flat angles P-C4'-P energy: -72.350
tors. eta vs tors. theta energy: -113.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -961.279282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.279282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.279282 (E_RNA)
where:
Base-Base interactions energy: -639.311
where: short stacking energy: -257.911
Base-Backbone interact. energy: -2.311
local terms energy: -319.657267
where:
bonds (distance) C4'-P energy: -79.802
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -74.678
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -600.015583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.015583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.015583 (E_RNA)
where:
Base-Base interactions energy: -302.880
where: short stacking energy: -136.298
Base-Backbone interact. energy: 2.825
local terms energy: -299.960843
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -96.329
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: 8.745
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1911.633443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.633443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.633443 (E_RNA)
where:
Base-Base interactions energy: -1332.366
where: short stacking energy: -567.797
Base-Backbone interact. energy: -2.068
local terms energy: -577.199268
where:
bonds (distance) C4'-P energy: -109.139
bonds (distance) P-C4' energy: -103.805
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -79.969
tors. eta vs tors. theta energy: -167.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1791.873097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.873097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.873097 (E_RNA)
where:
Base-Base interactions energy: -1228.263
where: short stacking energy: -549.992
Base-Backbone interact. energy: -1.626
local terms energy: -561.983975
where:
bonds (distance) C4'-P energy: -111.996
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -122.919
flat angles P-C4'-P energy: -79.785
tors. eta vs tors. theta energy: -155.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1727.994799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.994799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.994799 (E_RNA)
where:
Base-Base interactions energy: -1185.791
where: short stacking energy: -545.467
Base-Backbone interact. energy: -3.936
local terms energy: -538.267968
where:
bonds (distance) C4'-P energy: -98.966
bonds (distance) P-C4' energy: -90.459
flat angles C4'-P-C4' energy: -110.966
flat angles P-C4'-P energy: -78.726
tors. eta vs tors. theta energy: -159.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1696.143834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.143834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.143834 (E_RNA)
where:
Base-Base interactions energy: -1158.693
where: short stacking energy: -525.180
Base-Backbone interact. energy: -0.321
local terms energy: -537.129419
where:
bonds (distance) C4'-P energy: -97.565
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -115.957
flat angles P-C4'-P energy: -78.822
tors. eta vs tors. theta energy: -158.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1595.290835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.290835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.290835 (E_RNA)
where:
Base-Base interactions energy: -1082.534
where: short stacking energy: -465.385
Base-Backbone interact. energy: 3.333
local terms energy: -516.089183
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -86.931
flat angles C4'-P-C4' energy: -110.584
flat angles P-C4'-P energy: -82.308
tors. eta vs tors. theta energy: -137.214
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: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1610.145471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.145471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.145471 (E_RNA)
where:
Base-Base interactions energy: -1101.413
where: short stacking energy: -459.875
Base-Backbone interact. energy: 1.012
local terms energy: -509.744162
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -95.139
flat angles C4'-P-C4' energy: -112.452
flat angles P-C4'-P energy: -61.905
tors. eta vs tors. theta energy: -132.802
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1408.830539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.830539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.830539 (E_RNA)
where:
Base-Base interactions energy: -946.770
where: short stacking energy: -403.615
Base-Backbone interact. energy: 0.450
local terms energy: -462.509566
where:
bonds (distance) C4'-P energy: -98.436
bonds (distance) P-C4' energy: -88.407
flat angles C4'-P-C4' energy: -100.211
flat angles P-C4'-P energy: -71.321
tors. eta vs tors. theta energy: -104.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1275.787078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.787078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.787078 (E_RNA)
where:
Base-Base interactions energy: -835.864
where: short stacking energy: -362.219
Base-Backbone interact. energy: -0.874
local terms energy: -439.049208
where:
bonds (distance) C4'-P energy: -96.842
bonds (distance) P-C4' energy: -90.394
flat angles C4'-P-C4' energy: -90.936
flat angles P-C4'-P energy: -63.856
tors. eta vs tors. theta energy: -97.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1023.831241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.831241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.831241 (E_RNA)
where:
Base-Base interactions energy: -648.066
where: short stacking energy: -306.533
Base-Backbone interact. energy: -0.529
local terms energy: -375.235904
where:
bonds (distance) C4'-P energy: -79.338
bonds (distance) P-C4' energy: -89.287
flat angles C4'-P-C4' energy: -99.312
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -55.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -566.060740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.060740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.060740 (E_RNA)
where:
Base-Base interactions energy: -249.325
where: short stacking energy: -133.544
Base-Backbone interact. energy: -1.827
local terms energy: -314.908859
where:
bonds (distance) C4'-P energy: -91.378
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -90.877
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: 7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1932.156580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.156580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.156580 (E_RNA)
where:
Base-Base interactions energy: -1330.639
where: short stacking energy: -583.193
Base-Backbone interact. energy: -1.172
local terms energy: -600.345718
where:
bonds (distance) C4'-P energy: -117.257
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -89.890
tors. eta vs tors. theta energy: -175.154
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1785.189751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.189751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.189751 (E_RNA)
where:
Base-Base interactions energy: -1225.419
where: short stacking energy: -562.825
Base-Backbone interact. energy: -3.815
local terms energy: -555.955300
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -114.104
flat angles P-C4'-P energy: -83.928
tors. eta vs tors. theta energy: -167.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1734.599768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.599768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.599768 (E_RNA)
where:
Base-Base interactions energy: -1150.254
where: short stacking energy: -538.360
Base-Backbone interact. energy: -2.649
local terms energy: -581.697109
where:
bonds (distance) C4'-P energy: -107.551
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -112.440
flat angles P-C4'-P energy: -88.187
tors. eta vs tors. theta energy: -163.533
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1642.185748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.185748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.185748 (E_RNA)
where:
Base-Base interactions energy: -1132.370
where: short stacking energy: -492.327
Base-Backbone interact. energy: 7.267
local terms energy: -517.083254
where:
bonds (distance) C4'-P energy: -101.938
bonds (distance) P-C4' energy: -81.156
flat angles C4'-P-C4' energy: -116.632
flat angles P-C4'-P energy: -74.121
tors. eta vs tors. theta energy: -143.236
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1603.317510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.317510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.317510 (E_RNA)
where:
Base-Base interactions energy: -1071.232
where: short stacking energy: -489.427
Base-Backbone interact. energy: -2.767
local terms energy: -529.318208
where:
bonds (distance) C4'-P energy: -101.723
bonds (distance) P-C4' energy: -108.576
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -64.115
tors. eta vs tors. theta energy: -137.269
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1578.003962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.003962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.003962 (E_RNA)
where:
Base-Base interactions energy: -1061.548
where: short stacking energy: -472.082
Base-Backbone interact. energy: -1.845
local terms energy: -514.610371
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -98.781
flat angles C4'-P-C4' energy: -116.964
flat angles P-C4'-P energy: -72.577
tors. eta vs tors. theta energy: -127.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1436.840400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.840400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.840400 (E_RNA)
where:
Base-Base interactions energy: -971.540
where: short stacking energy: -430.849
Base-Backbone interact. energy: -1.086
local terms energy: -464.214746
where:
bonds (distance) C4'-P energy: -83.542
bonds (distance) P-C4' energy: -93.656
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -73.046
tors. eta vs tors. theta energy: -113.208
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: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1259.014621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.014621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.014621 (E_RNA)
where:
Base-Base interactions energy: -864.543
where: short stacking energy: -368.053
Base-Backbone interact. energy: 1.635
local terms energy: -396.107223
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -84.620
flat angles C4'-P-C4' energy: -88.505
flat angles P-C4'-P energy: -52.019
tors. eta vs tors. theta energy: -78.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -982.739872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.739872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.739872 (E_RNA)
where:
Base-Base interactions energy: -620.454
where: short stacking energy: -287.689
Base-Backbone interact. energy: -0.018
local terms energy: -362.268036
where:
bonds (distance) C4'-P energy: -97.135
bonds (distance) P-C4' energy: -76.619
flat angles C4'-P-C4' energy: -95.966
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: -53.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -565.683197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.683197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.683197 (E_RNA)
where:
Base-Base interactions energy: -282.019
where: short stacking energy: -159.237
Base-Backbone interact. energy: -0.550
local terms energy: -283.113991
where:
bonds (distance) C4'-P energy: -89.419
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -61.865
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: 14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1922.669170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.669170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.669170 (E_RNA)
where:
Base-Base interactions energy: -1332.440
where: short stacking energy: -556.793
Base-Backbone interact. energy: -2.940
local terms energy: -587.288800
where:
bonds (distance) C4'-P energy: -106.138
bonds (distance) P-C4' energy: -105.007
flat angles C4'-P-C4' energy: -123.269
flat angles P-C4'-P energy: -82.354
tors. eta vs tors. theta energy: -170.520
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1741.082924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.082924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.082924 (E_RNA)
where:
Base-Base interactions energy: -1185.896
where: short stacking energy: -520.176
Base-Backbone interact. energy: -1.694
local terms energy: -553.493378
where:
bonds (distance) C4'-P energy: -102.104
bonds (distance) P-C4' energy: -102.711
flat angles C4'-P-C4' energy: -118.413
flat angles P-C4'-P energy: -79.202
tors. eta vs tors. theta energy: -151.063
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: 136
Temperature: 1.000000
Total energy: -1707.885112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.885112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.885112 (E_RNA)
where:
Base-Base interactions energy: -1141.144
where: short stacking energy: -507.521
Base-Backbone interact. energy: -0.573
local terms energy: -566.167541
where:
bonds (distance) C4'-P energy: -109.280
bonds (distance) P-C4' energy: -106.110
flat angles C4'-P-C4' energy: -117.675
flat angles P-C4'-P energy: -82.348
tors. eta vs tors. theta energy: -150.755
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: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1652.666288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.666288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.666288 (E_RNA)
where:
Base-Base interactions energy: -1109.646
where: short stacking energy: -498.981
Base-Backbone interact. energy: -1.973
local terms energy: -541.047039
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -98.186
flat angles C4'-P-C4' energy: -121.710
flat angles P-C4'-P energy: -78.822
tors. eta vs tors. theta energy: -145.092
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1667.667058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.667058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.667058 (E_RNA)
where:
Base-Base interactions energy: -1144.623
where: short stacking energy: -503.056
Base-Backbone interact. energy: 1.580
local terms energy: -524.624335
where:
bonds (distance) C4'-P energy: -90.425
bonds (distance) P-C4' energy: -99.370
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -69.906
tors. eta vs tors. theta energy: -147.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1493.296648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.296648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.296648 (E_RNA)
where:
Base-Base interactions energy: -1002.602
where: short stacking energy: -425.393
Base-Backbone interact. energy: 0.822
local terms energy: -491.516596
where:
bonds (distance) C4'-P energy: -99.156
bonds (distance) P-C4' energy: -89.422
flat angles C4'-P-C4' energy: -106.564
flat angles P-C4'-P energy: -69.619
tors. eta vs tors. theta energy: -126.756
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: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1371.679809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.679809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.679809 (E_RNA)
where:
Base-Base interactions energy: -914.694
where: short stacking energy: -382.191
Base-Backbone interact. energy: -0.593
local terms energy: -456.393050
where:
bonds (distance) C4'-P energy: -87.793
bonds (distance) P-C4' energy: -98.135
flat angles C4'-P-C4' energy: -108.848
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -85.316
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: 136
Temperature: 1.250000
Total energy: -1292.917187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.917187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.917187 (E_RNA)
where:
Base-Base interactions energy: -834.839
where: short stacking energy: -370.409
Base-Backbone interact. energy: -1.590
local terms energy: -456.488733
where:
bonds (distance) C4'-P energy: -105.101
bonds (distance) P-C4' energy: -103.192
flat angles C4'-P-C4' energy: -89.563
flat angles P-C4'-P energy: -56.532
tors. eta vs tors. theta energy: -102.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -898.540803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.540803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.540803 (E_RNA)
where:
Base-Base interactions energy: -544.526
where: short stacking energy: -241.360
Base-Backbone interact. energy: -1.630
local terms energy: -352.385536
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -88.373
flat angles C4'-P-C4' energy: -79.187
flat angles P-C4'-P energy: -51.154
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -582.239401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.239401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.239401 (E_RNA)
where:
Base-Base interactions energy: -295.887
where: short stacking energy: -159.520
Base-Backbone interact. energy: 0.317
local terms energy: -286.669435
where:
bonds (distance) C4'-P energy: -86.625
bonds (distance) P-C4' energy: -77.761
flat angles C4'-P-C4' energy: -90.881
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: 11.787
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1905.061743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.061743 (E_RNA)
where:
Base-Base interactions energy: -1325.585
where: short stacking energy: -549.328
Base-Backbone interact. energy: -2.687
local terms energy: -576.789777
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -110.723
flat angles C4'-P-C4' energy: -121.917
flat angles P-C4'-P energy: -86.156
tors. eta vs tors. theta energy: -168.346
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1759.306246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.306246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.306246 (E_RNA)
where:
Base-Base interactions energy: -1197.460
where: short stacking energy: -505.732
Base-Backbone interact. energy: -2.502
local terms energy: -559.344975
where:
bonds (distance) C4'-P energy: -110.904
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -127.216
flat angles P-C4'-P energy: -69.468
tors. eta vs tors. theta energy: -143.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1724.321113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.321113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.321113 (E_RNA)
where:
Base-Base interactions energy: -1159.707
where: short stacking energy: -513.250
Base-Backbone interact. energy: -1.468
local terms energy: -563.145217
where:
bonds (distance) C4'-P energy: -98.629
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -114.435
flat angles P-C4'-P energy: -94.193
tors. eta vs tors. theta energy: -148.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1703.476338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.476338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.476338 (E_RNA)
where:
Base-Base interactions energy: -1150.690
where: short stacking energy: -496.754
Base-Backbone interact. energy: 1.917
local terms energy: -554.703016
where:
bonds (distance) C4'-P energy: -102.877
bonds (distance) P-C4' energy: -104.219
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -78.616
tors. eta vs tors. theta energy: -156.896
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1584.389800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.389800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.389800 (E_RNA)
where:
Base-Base interactions energy: -1073.409
where: short stacking energy: -464.291
Base-Backbone interact. energy: -0.654
local terms energy: -510.326629
where:
bonds (distance) C4'-P energy: -103.578
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -104.295
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -129.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1432.679306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.679306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.679306 (E_RNA)
where:
Base-Base interactions energy: -956.052
where: short stacking energy: -424.816
Base-Backbone interact. energy: 0.196
local terms energy: -476.822985
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -98.782
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -108.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1444.147168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.147168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.147168 (E_RNA)
where:
Base-Base interactions energy: -970.972
where: short stacking energy: -419.420
Base-Backbone interact. energy: -5.781
local terms energy: -467.393834
where:
bonds (distance) C4'-P energy: -83.260
bonds (distance) P-C4' energy: -107.066
flat angles C4'-P-C4' energy: -99.526
flat angles P-C4'-P energy: -77.144
tors. eta vs tors. theta energy: -100.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1269.571546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.571546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.571546 (E_RNA)
where:
Base-Base interactions energy: -857.187
where: short stacking energy: -354.950
Base-Backbone interact. energy: 2.800
local terms energy: -415.184760
where:
bonds (distance) C4'-P energy: -86.737
bonds (distance) P-C4' energy: -87.522
flat angles C4'-P-C4' energy: -97.162
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -85.930
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: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -813.938963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.938963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.938963 (E_RNA)
where:
Base-Base interactions energy: -462.271
where: short stacking energy: -224.588
Base-Backbone interact. energy: 4.444
local terms energy: -356.112192
where:
bonds (distance) C4'-P energy: -94.205
bonds (distance) P-C4' energy: -87.855
flat angles C4'-P-C4' energy: -98.477
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -592.865744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.865744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.865744 (E_RNA)
where:
Base-Base interactions energy: -298.435
where: short stacking energy: -177.908
Base-Backbone interact. energy: -2.468
local terms energy: -291.962321
where:
bonds (distance) C4'-P energy: -77.116
bonds (distance) P-C4' energy: -103.207
flat angles C4'-P-C4' energy: -77.176
flat angles P-C4'-P energy: -31.277
tors. eta vs tors. theta energy: -3.186
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1922.374204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.374204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.374204 (E_RNA)
where:
Base-Base interactions energy: -1334.422
where: short stacking energy: -571.276
Base-Backbone interact. energy: -2.472
local terms energy: -585.479954
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -113.507
flat angles P-C4'-P energy: -91.801
tors. eta vs tors. theta energy: -170.778
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1790.294072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.294072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.294072 (E_RNA)
where:
Base-Base interactions energy: -1208.495
where: short stacking energy: -536.507
Base-Backbone interact. energy: -1.552
local terms energy: -580.247064
where:
bonds (distance) C4'-P energy: -101.792
bonds (distance) P-C4' energy: -111.485
flat angles C4'-P-C4' energy: -127.514
flat angles P-C4'-P energy: -84.912
tors. eta vs tors. theta energy: -154.543
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: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1728.447332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.447332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.447332 (E_RNA)
where:
Base-Base interactions energy: -1156.321
where: short stacking energy: -536.810
Base-Backbone interact. energy: -3.137
local terms energy: -568.988841
where:
bonds (distance) C4'-P energy: -105.992
bonds (distance) P-C4' energy: -107.855
flat angles C4'-P-C4' energy: -121.284
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -161.622
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1685.578522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.578522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.578522 (E_RNA)
where:
Base-Base interactions energy: -1143.554
where: short stacking energy: -508.592
Base-Backbone interact. energy: 1.973
local terms energy: -543.998063
where:
bonds (distance) C4'-P energy: -97.251
bonds (distance) P-C4' energy: -103.519
flat angles C4'-P-C4' energy: -115.598
flat angles P-C4'-P energy: -70.249
tors. eta vs tors. theta energy: -157.381
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1555.635109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.635109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.635109 (E_RNA)
where:
Base-Base interactions energy: -1056.436
where: short stacking energy: -454.883
Base-Backbone interact. energy: -1.555
local terms energy: -497.643681
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -107.991
flat angles C4'-P-C4' energy: -116.028
flat angles P-C4'-P energy: -65.260
tors. eta vs tors. theta energy: -119.827
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1444.101911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.101911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.101911 (E_RNA)
where:
Base-Base interactions energy: -998.908
where: short stacking energy: -440.195
Base-Backbone interact. energy: -0.565
local terms energy: -444.629305
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -83.039
flat angles C4'-P-C4' energy: -99.513
flat angles P-C4'-P energy: -60.768
tors. eta vs tors. theta energy: -114.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1366.878260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.878260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.878260 (E_RNA)
where:
Base-Base interactions energy: -936.774
where: short stacking energy: -415.637
Base-Backbone interact. energy: 0.710
local terms energy: -430.814310
where:
bonds (distance) C4'-P energy: -64.715
bonds (distance) P-C4' energy: -88.062
flat angles C4'-P-C4' energy: -113.271
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -98.013
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: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1382.981857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.981857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.981857 (E_RNA)
where:
Base-Base interactions energy: -934.407
where: short stacking energy: -402.097
Base-Backbone interact. energy: -1.874
local terms energy: -446.700912
where:
bonds (distance) C4'-P energy: -83.123
bonds (distance) P-C4' energy: -94.873
flat angles C4'-P-C4' energy: -94.776
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -114.826
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -887.271005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.271005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.271005 (E_RNA)
where:
Base-Base interactions energy: -560.763
where: short stacking energy: -281.451
Base-Backbone interact. energy: 0.460
local terms energy: -326.967949
where:
bonds (distance) C4'-P energy: -87.382
bonds (distance) P-C4' energy: -88.816
flat angles C4'-P-C4' energy: -73.734
flat angles P-C4'-P energy: -33.130
tors. eta vs tors. theta energy: -43.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -602.112033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.112033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.112033 (E_RNA)
where:
Base-Base interactions energy: -286.525
where: short stacking energy: -165.222
Base-Backbone interact. energy: -2.310
local terms energy: -313.277297
where:
bonds (distance) C4'-P energy: -85.244
bonds (distance) P-C4' energy: -105.872
flat angles C4'-P-C4' energy: -84.915
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: 6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1926.939575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.939575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.939575 (E_RNA)
where:
Base-Base interactions energy: -1334.782
where: short stacking energy: -581.638
Base-Backbone interact. energy: -3.321
local terms energy: -588.837380
where:
bonds (distance) C4'-P energy: -96.908
bonds (distance) P-C4' energy: -103.456
flat angles C4'-P-C4' energy: -123.759
flat angles P-C4'-P energy: -83.550
tors. eta vs tors. theta energy: -181.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1788.250959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.250959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.250959 (E_RNA)
where:
Base-Base interactions energy: -1218.323
where: short stacking energy: -544.322
Base-Backbone interact. energy: -0.843
local terms energy: -569.084643
where:
bonds (distance) C4'-P energy: -115.433
bonds (distance) P-C4' energy: -88.559
flat angles C4'-P-C4' energy: -118.942
flat angles P-C4'-P energy: -86.474
tors. eta vs tors. theta energy: -159.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1729.002045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.002045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.002045 (E_RNA)
where:
Base-Base interactions energy: -1170.447
where: short stacking energy: -529.383
Base-Backbone interact. energy: -3.323
local terms energy: -555.231604
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -118.392
flat angles C4'-P-C4' energy: -112.948
flat angles P-C4'-P energy: -74.613
tors. eta vs tors. theta energy: -157.640
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: 139
Temperature: 1.050000
Total energy: -1690.934111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.934111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.934111 (E_RNA)
where:
Base-Base interactions energy: -1133.619
where: short stacking energy: -511.079
Base-Backbone interact. energy: -1.918
local terms energy: -555.397702
where:
bonds (distance) C4'-P energy: -104.263
bonds (distance) P-C4' energy: -93.995
flat angles C4'-P-C4' energy: -122.145
flat angles P-C4'-P energy: -77.817
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1590.502213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.502213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.502213 (E_RNA)
where:
Base-Base interactions energy: -1094.604
where: short stacking energy: -465.402
Base-Backbone interact. energy: -0.169
local terms energy: -495.729125
where:
bonds (distance) C4'-P energy: -94.722
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -105.127
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -127.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1447.187152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.187152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.187152 (E_RNA)
where:
Base-Base interactions energy: -987.363
where: short stacking energy: -417.212
Base-Backbone interact. energy: -0.939
local terms energy: -458.885825
where:
bonds (distance) C4'-P energy: -94.349
bonds (distance) P-C4' energy: -92.160
flat angles C4'-P-C4' energy: -101.560
flat angles P-C4'-P energy: -61.865
tors. eta vs tors. theta energy: -108.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1354.397474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.397474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.397474 (E_RNA)
where:
Base-Base interactions energy: -905.963
where: short stacking energy: -391.737
Base-Backbone interact. energy: 1.705
local terms energy: -450.139454
where:
bonds (distance) C4'-P energy: -91.695
bonds (distance) P-C4' energy: -91.690
flat angles C4'-P-C4' energy: -108.183
flat angles P-C4'-P energy: -79.056
tors. eta vs tors. theta energy: -79.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1384.785833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.785833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.785833 (E_RNA)
where:
Base-Base interactions energy: -937.185
where: short stacking energy: -427.255
Base-Backbone interact. energy: -2.012
local terms energy: -445.588393
where:
bonds (distance) C4'-P energy: -95.226
bonds (distance) P-C4' energy: -71.545
flat angles C4'-P-C4' energy: -91.445
flat angles P-C4'-P energy: -62.305
tors. eta vs tors. theta energy: -125.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -855.857938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.857938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.857938 (E_RNA)
where:
Base-Base interactions energy: -543.814
where: short stacking energy: -256.272
Base-Backbone interact. energy: 0.397
local terms energy: -312.440837
where:
bonds (distance) C4'-P energy: -65.069
bonds (distance) P-C4' energy: -85.894
flat angles C4'-P-C4' energy: -78.751
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -31.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -590.226222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.226222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.226222 (E_RNA)
where:
Base-Base interactions energy: -282.254
where: short stacking energy: -148.190
Base-Backbone interact. energy: 0.668
local terms energy: -308.640992
where:
bonds (distance) C4'-P energy: -83.662
bonds (distance) P-C4' energy: -105.432
flat angles C4'-P-C4' energy: -73.170
flat angles P-C4'-P energy: -54.201
tors. eta vs tors. theta energy: 7.824
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: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1928.732773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.732773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.732773 (E_RNA)
where:
Base-Base interactions energy: -1315.424
where: short stacking energy: -553.902
Base-Backbone interact. energy: -1.547
local terms energy: -611.761890
where:
bonds (distance) C4'-P energy: -113.174
bonds (distance) P-C4' energy: -116.690
flat angles C4'-P-C4' energy: -114.182
flat angles P-C4'-P energy: -94.268
tors. eta vs tors. theta energy: -173.448
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: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1784.089211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.089211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.089211 (E_RNA)
where:
Base-Base interactions energy: -1210.922
where: short stacking energy: -542.992
Base-Backbone interact. energy: -3.866
local terms energy: -569.301210
where:
bonds (distance) C4'-P energy: -117.324
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -115.547
flat angles P-C4'-P energy: -82.956
tors. eta vs tors. theta energy: -153.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1730.728676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.728676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.728676 (E_RNA)
where:
Base-Base interactions energy: -1174.177
where: short stacking energy: -522.033
Base-Backbone interact. energy: 3.416
local terms energy: -559.967277
where:
bonds (distance) C4'-P energy: -96.925
bonds (distance) P-C4' energy: -110.673
flat angles C4'-P-C4' energy: -120.444
flat angles P-C4'-P energy: -86.322
tors. eta vs tors. theta energy: -145.602
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1726.667750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.667750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.667750 (E_RNA)
where:
Base-Base interactions energy: -1176.057
where: short stacking energy: -510.839
Base-Backbone interact. energy: -2.238
local terms energy: -548.372661
where:
bonds (distance) C4'-P energy: -111.463
bonds (distance) P-C4' energy: -91.585
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -81.116
tors. eta vs tors. theta energy: -154.330
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: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1606.724274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.724274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.724274 (E_RNA)
where:
Base-Base interactions energy: -1117.207
where: short stacking energy: -484.489
Base-Backbone interact. energy: 0.201
local terms energy: -489.717942
where:
bonds (distance) C4'-P energy: -97.927
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -102.200
flat angles P-C4'-P energy: -62.107
tors. eta vs tors. theta energy: -134.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1452.910666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.910666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.910666 (E_RNA)
where:
Base-Base interactions energy: -958.021
where: short stacking energy: -413.473
Base-Backbone interact. energy: 3.210
local terms energy: -498.098828
where:
bonds (distance) C4'-P energy: -101.332
bonds (distance) P-C4' energy: -105.882
flat angles C4'-P-C4' energy: -107.905
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: -110.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1423.617994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.617994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.617994 (E_RNA)
where:
Base-Base interactions energy: -976.417
where: short stacking energy: -439.174
Base-Backbone interact. energy: -1.024
local terms energy: -446.176846
where:
bonds (distance) C4'-P energy: -79.558
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -91.400
flat angles P-C4'-P energy: -69.909
tors. eta vs tors. theta energy: -112.544
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1283.825806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.825806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.825806 (E_RNA)
where:
Base-Base interactions energy: -871.770
where: short stacking energy: -377.216
Base-Backbone interact. energy: -2.520
local terms energy: -409.535420
where:
bonds (distance) C4'-P energy: -72.384
bonds (distance) P-C4' energy: -93.991
flat angles C4'-P-C4' energy: -104.299
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -86.323
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -912.589511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.589511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.589511 (E_RNA)
where:
Base-Base interactions energy: -552.556
where: short stacking energy: -282.002
Base-Backbone interact. energy: 2.387
local terms energy: -362.419739
where:
bonds (distance) C4'-P energy: -87.172
bonds (distance) P-C4' energy: -89.334
flat angles C4'-P-C4' energy: -84.719
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -42.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -634.006107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.006107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.006107 (E_RNA)
where:
Base-Base interactions energy: -347.360
where: short stacking energy: -185.224
Base-Backbone interact. energy: -3.184
local terms energy: -283.461356
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -83.387
flat angles C4'-P-C4' energy: -72.367
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: 0.802
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: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1932.491945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.491945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.491945 (E_RNA)
where:
Base-Base interactions energy: -1337.962
where: short stacking energy: -575.722
Base-Backbone interact. energy: -0.352
local terms energy: -594.177502
where:
bonds (distance) C4'-P energy: -99.489
bonds (distance) P-C4' energy: -112.602
flat angles C4'-P-C4' energy: -133.181
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: -167.621
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1800.214984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.214984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.214984 (E_RNA)
where:
Base-Base interactions energy: -1239.592
where: short stacking energy: -535.963
Base-Backbone interact. energy: -5.264
local terms energy: -555.358629
where:
bonds (distance) C4'-P energy: -103.926
bonds (distance) P-C4' energy: -102.997
flat angles C4'-P-C4' energy: -117.723
flat angles P-C4'-P energy: -77.934
tors. eta vs tors. theta energy: -152.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1729.220642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.220642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.220642 (E_RNA)
where:
Base-Base interactions energy: -1159.473
where: short stacking energy: -534.787
Base-Backbone interact. energy: -1.688
local terms energy: -568.060131
where:
bonds (distance) C4'-P energy: -110.290
bonds (distance) P-C4' energy: -116.447
flat angles C4'-P-C4' energy: -106.188
flat angles P-C4'-P energy: -77.984
tors. eta vs tors. theta energy: -157.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1668.839343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.839343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.839343 (E_RNA)
where:
Base-Base interactions energy: -1120.267
where: short stacking energy: -494.177
Base-Backbone interact. energy: -0.075
local terms energy: -548.497175
where:
bonds (distance) C4'-P energy: -97.405
bonds (distance) P-C4' energy: -91.402
flat angles C4'-P-C4' energy: -113.072
flat angles P-C4'-P energy: -88.686
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: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1597.123942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.123942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.123942 (E_RNA)
where:
Base-Base interactions energy: -1063.523
where: short stacking energy: -480.422
Base-Backbone interact. energy: -4.892
local terms energy: -528.708749
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -107.212
flat angles C4'-P-C4' energy: -112.862
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -146.141
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: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1486.231350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.231350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.231350 (E_RNA)
where:
Base-Base interactions energy: -968.094
where: short stacking energy: -416.169
Base-Backbone interact. energy: -0.718
local terms energy: -517.419993
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -97.808
flat angles C4'-P-C4' energy: -114.380
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -124.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1434.041425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.041425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.041425 (E_RNA)
where:
Base-Base interactions energy: -981.883
where: short stacking energy: -429.322
Base-Backbone interact. energy: -0.605
local terms energy: -451.554126
where:
bonds (distance) C4'-P energy: -89.560
bonds (distance) P-C4' energy: -83.590
flat angles C4'-P-C4' energy: -98.893
flat angles P-C4'-P energy: -57.781
tors. eta vs tors. theta energy: -121.731
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: 141
Temperature: 1.250000
Total energy: -1212.222312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.222312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.222312 (E_RNA)
where:
Base-Base interactions energy: -796.855
where: short stacking energy: -349.274
Base-Backbone interact. energy: 0.123
local terms energy: -415.489791
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -96.792
flat angles C4'-P-C4' energy: -103.759
flat angles P-C4'-P energy: -38.628
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -860.524834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.524834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.524834 (E_RNA)
where:
Base-Base interactions energy: -514.522
where: short stacking energy: -229.513
Base-Backbone interact. energy: -5.374
local terms energy: -340.628505
where:
bonds (distance) C4'-P energy: -92.295
bonds (distance) P-C4' energy: -98.129
flat angles C4'-P-C4' energy: -92.541
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -653.288861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.288861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.288861 (E_RNA)
where:
Base-Base interactions energy: -369.608
where: short stacking energy: -177.031
Base-Backbone interact. energy: 1.830
local terms energy: -285.511243
where:
bonds (distance) C4'-P energy: -68.879
bonds (distance) P-C4' energy: -94.714
flat angles C4'-P-C4' energy: -82.131
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1920.507453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.507453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.507453 (E_RNA)
where:
Base-Base interactions energy: -1319.877
where: short stacking energy: -581.140
Base-Backbone interact. energy: -3.067
local terms energy: -597.563914
where:
bonds (distance) C4'-P energy: -109.574
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -126.931
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -173.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1782.154215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.154215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.154215 (E_RNA)
where:
Base-Base interactions energy: -1213.226
where: short stacking energy: -537.267
Base-Backbone interact. energy: -2.774
local terms energy: -566.154408
where:
bonds (distance) C4'-P energy: -99.057
bonds (distance) P-C4' energy: -104.522
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -89.895
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: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1744.931442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.931442 (E_RNA)
where:
Base-Base interactions energy: -1174.413
where: short stacking energy: -539.959
Base-Backbone interact. energy: -0.703
local terms energy: -569.814936
where:
bonds (distance) C4'-P energy: -112.144
bonds (distance) P-C4' energy: -88.027
flat angles C4'-P-C4' energy: -118.868
flat angles P-C4'-P energy: -92.627
tors. eta vs tors. theta energy: -158.149
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: 142
Temperature: 1.050000
Total energy: -1674.727625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.727625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.727625 (E_RNA)
where:
Base-Base interactions energy: -1132.604
where: short stacking energy: -510.425
Base-Backbone interact. energy: -0.241
local terms energy: -541.882622
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -98.662
flat angles C4'-P-C4' energy: -103.448
flat angles P-C4'-P energy: -87.930
tors. eta vs tors. theta energy: -148.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1579.464171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.464171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.464171 (E_RNA)
where:
Base-Base interactions energy: -1088.937
where: short stacking energy: -450.883
Base-Backbone interact. energy: 0.838
local terms energy: -491.365051
where:
bonds (distance) C4'-P energy: -98.198
bonds (distance) P-C4' energy: -80.773
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -135.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1428.384480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.384480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.384480 (E_RNA)
where:
Base-Base interactions energy: -953.137
where: short stacking energy: -418.723
Base-Backbone interact. energy: -0.107
local terms energy: -475.140687
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -87.132
flat angles C4'-P-C4' energy: -100.908
flat angles P-C4'-P energy: -67.887
tors. eta vs tors. theta energy: -121.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1360.750568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.750568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.750568 (E_RNA)
where:
Base-Base interactions energy: -918.268
where: short stacking energy: -401.659
Base-Backbone interact. energy: 2.039
local terms energy: -444.521097
where:
bonds (distance) C4'-P energy: -97.550
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -100.167
flat angles P-C4'-P energy: -66.947
tors. eta vs tors. theta energy: -92.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1269.834332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.834332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.834332 (E_RNA)
where:
Base-Base interactions energy: -841.820
where: short stacking energy: -364.739
Base-Backbone interact. energy: -0.771
local terms energy: -427.243629
where:
bonds (distance) C4'-P energy: -91.437
bonds (distance) P-C4' energy: -97.123
flat angles C4'-P-C4' energy: -93.544
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -88.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -881.245239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.245239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.245239 (E_RNA)
where:
Base-Base interactions energy: -524.531
where: short stacking energy: -240.534
Base-Backbone interact. energy: -0.161
local terms energy: -356.553465
where:
bonds (distance) C4'-P energy: -85.029
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -89.756
flat angles P-C4'-P energy: -57.985
tors. eta vs tors. theta energy: -26.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -683.357707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.357707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.357707 (E_RNA)
where:
Base-Base interactions energy: -366.286
where: short stacking energy: -178.277
Base-Backbone interact. energy: 1.403
local terms energy: -318.474367
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -90.407
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -49.500
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1924.183556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.183556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.183556 (E_RNA)
where:
Base-Base interactions energy: -1330.019
where: short stacking energy: -581.094
Base-Backbone interact. energy: 1.965
local terms energy: -596.128965
where:
bonds (distance) C4'-P energy: -95.574
bonds (distance) P-C4' energy: -107.938
flat angles C4'-P-C4' energy: -129.137
flat angles P-C4'-P energy: -90.649
tors. eta vs tors. theta energy: -172.831
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1779.414554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.414554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.414554 (E_RNA)
where:
Base-Base interactions energy: -1202.716
where: short stacking energy: -528.691
Base-Backbone interact. energy: -0.150
local terms energy: -576.548408
where:
bonds (distance) C4'-P energy: -103.762
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -110.656
flat angles P-C4'-P energy: -93.795
tors. eta vs tors. theta energy: -162.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1731.601178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.601178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.601178 (E_RNA)
where:
Base-Base interactions energy: -1176.863
where: short stacking energy: -531.078
Base-Backbone interact. energy: -1.183
local terms energy: -553.555266
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -115.864
flat angles C4'-P-C4' energy: -113.682
flat angles P-C4'-P energy: -80.310
tors. eta vs tors. theta energy: -150.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1690.537114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.537114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.537114 (E_RNA)
where:
Base-Base interactions energy: -1149.861
where: short stacking energy: -499.212
Base-Backbone interact. energy: -0.184
local terms energy: -540.492200
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -102.720
flat angles C4'-P-C4' energy: -113.744
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -154.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1601.922602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.922602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.922602 (E_RNA)
where:
Base-Base interactions energy: -1091.510
where: short stacking energy: -477.888
Base-Backbone interact. energy: -1.542
local terms energy: -508.870687
where:
bonds (distance) C4'-P energy: -77.913
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -125.959
flat angles P-C4'-P energy: -69.621
tors. eta vs tors. theta energy: -137.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1444.531176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.531176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.531176 (E_RNA)
where:
Base-Base interactions energy: -964.041
where: short stacking energy: -430.891
Base-Backbone interact. energy: -1.506
local terms energy: -478.983427
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -95.650
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -63.548
tors. eta vs tors. theta energy: -121.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1428.404692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.404692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.404692 (E_RNA)
where:
Base-Base interactions energy: -998.555
where: short stacking energy: -447.083
Base-Backbone interact. energy: -1.833
local terms energy: -428.016898
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -91.264
flat angles C4'-P-C4' energy: -111.321
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -111.984
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: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1241.843929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.843929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.843929 (E_RNA)
where:
Base-Base interactions energy: -794.843
where: short stacking energy: -344.393
Base-Backbone interact. energy: 4.153
local terms energy: -451.153636
where:
bonds (distance) C4'-P energy: -80.670
bonds (distance) P-C4' energy: -106.898
flat angles C4'-P-C4' energy: -113.729
flat angles P-C4'-P energy: -69.568
tors. eta vs tors. theta energy: -80.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -864.038903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.038903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.038903 (E_RNA)
where:
Base-Base interactions energy: -520.708
where: short stacking energy: -251.156
Base-Backbone interact. energy: 0.760
local terms energy: -344.091063
where:
bonds (distance) C4'-P energy: -86.630
bonds (distance) P-C4' energy: -87.380
flat angles C4'-P-C4' energy: -87.699
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -615.101264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.101264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.101264 (E_RNA)
where:
Base-Base interactions energy: -340.148
where: short stacking energy: -205.415
Base-Backbone interact. energy: -0.365
local terms energy: -274.587576
where:
bonds (distance) C4'-P energy: -91.941
bonds (distance) P-C4' energy: -77.645
flat angles C4'-P-C4' energy: -75.383
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: 1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1939.869882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.869882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.869882 (E_RNA)
where:
Base-Base interactions energy: -1326.357
where: short stacking energy: -577.666
Base-Backbone interact. energy: -4.507
local terms energy: -609.005764
where:
bonds (distance) C4'-P energy: -117.374
bonds (distance) P-C4' energy: -113.110
flat angles C4'-P-C4' energy: -113.599
flat angles P-C4'-P energy: -87.333
tors. eta vs tors. theta energy: -177.590
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1772.689378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.689378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.689378 (E_RNA)
where:
Base-Base interactions energy: -1197.891
where: short stacking energy: -517.519
Base-Backbone interact. energy: -4.553
local terms energy: -570.245919
where:
bonds (distance) C4'-P energy: -105.598
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -126.594
flat angles P-C4'-P energy: -87.664
tors. eta vs tors. theta energy: -151.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1721.860068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.860068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.860068 (E_RNA)
where:
Base-Base interactions energy: -1176.161
where: short stacking energy: -522.779
Base-Backbone interact. energy: -1.447
local terms energy: -544.252944
where:
bonds (distance) C4'-P energy: -108.992
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -115.165
flat angles P-C4'-P energy: -77.135
tors. eta vs tors. theta energy: -146.198
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1695.081872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.081872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.081872 (E_RNA)
where:
Base-Base interactions energy: -1138.003
where: short stacking energy: -499.295
Base-Backbone interact. energy: -3.622
local terms energy: -553.457472
where:
bonds (distance) C4'-P energy: -100.994
bonds (distance) P-C4' energy: -113.465
flat angles C4'-P-C4' energy: -115.725
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -140.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1596.876306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.876306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.876306 (E_RNA)
where:
Base-Base interactions energy: -1099.056
where: short stacking energy: -470.617
Base-Backbone interact. energy: 1.092
local terms energy: -498.912238
where:
bonds (distance) C4'-P energy: -98.936
bonds (distance) P-C4' energy: -81.316
flat angles C4'-P-C4' energy: -107.833
flat angles P-C4'-P energy: -78.065
tors. eta vs tors. theta energy: -132.762
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: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1444.781317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.781317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.781317 (E_RNA)
where:
Base-Base interactions energy: -978.757
where: short stacking energy: -450.159
Base-Backbone interact. energy: 0.835
local terms energy: -466.858701
where:
bonds (distance) C4'-P energy: -87.595
bonds (distance) P-C4' energy: -89.533
flat angles C4'-P-C4' energy: -104.871
flat angles P-C4'-P energy: -68.315
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1483.816130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.816130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.816130 (E_RNA)
where:
Base-Base interactions energy: -1022.915
where: short stacking energy: -448.102
Base-Backbone interact. energy: -1.969
local terms energy: -458.931708
where:
bonds (distance) C4'-P energy: -79.956
bonds (distance) P-C4' energy: -101.475
flat angles C4'-P-C4' energy: -107.593
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -113.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1250.120037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.120037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.120037 (E_RNA)
where:
Base-Base interactions energy: -831.429
where: short stacking energy: -368.359
Base-Backbone interact. energy: -2.196
local terms energy: -416.494718
where:
bonds (distance) C4'-P energy: -73.200
bonds (distance) P-C4' energy: -98.694
flat angles C4'-P-C4' energy: -90.168
flat angles P-C4'-P energy: -65.516
tors. eta vs tors. theta energy: -88.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -873.677210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.677210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.677210 (E_RNA)
where:
Base-Base interactions energy: -522.949
where: short stacking energy: -249.447
Base-Backbone interact. energy: -2.870
local terms energy: -347.858130
where:
bonds (distance) C4'-P energy: -82.635
bonds (distance) P-C4' energy: -91.519
flat angles C4'-P-C4' energy: -90.372
flat angles P-C4'-P energy: -57.146
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -598.699146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.699146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.699146 (E_RNA)
where:
Base-Base interactions energy: -298.030
where: short stacking energy: -169.757
Base-Backbone interact. energy: 6.820
local terms energy: -307.488438
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -104.828
flat angles C4'-P-C4' energy: -96.121
flat angles P-C4'-P energy: -33.438
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1910.630988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.630988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.630988 (E_RNA)
where:
Base-Base interactions energy: -1324.756
where: short stacking energy: -559.774
Base-Backbone interact. energy: -2.899
local terms energy: -582.976175
where:
bonds (distance) C4'-P energy: -109.190
bonds (distance) P-C4' energy: -111.449
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -74.037
tors. eta vs tors. theta energy: -169.996
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1783.560542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.560542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.560542 (E_RNA)
where:
Base-Base interactions energy: -1201.045
where: short stacking energy: -503.963
Base-Backbone interact. energy: -1.544
local terms energy: -580.971560
where:
bonds (distance) C4'-P energy: -106.596
bonds (distance) P-C4' energy: -115.885
flat angles C4'-P-C4' energy: -119.190
flat angles P-C4'-P energy: -86.247
tors. eta vs tors. theta energy: -153.054
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1712.912665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.912665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.912665 (E_RNA)
where:
Base-Base interactions energy: -1166.754
where: short stacking energy: -526.913
Base-Backbone interact. energy: -2.028
local terms energy: -544.130216
where:
bonds (distance) C4'-P energy: -93.404
bonds (distance) P-C4' energy: -107.928
flat angles C4'-P-C4' energy: -119.352
flat angles P-C4'-P energy: -82.460
tors. eta vs tors. theta energy: -140.986
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1649.188580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.188580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.188580 (E_RNA)
where:
Base-Base interactions energy: -1119.605
where: short stacking energy: -499.155
Base-Backbone interact. energy: 6.904
local terms energy: -536.487612
where:
bonds (distance) C4'-P energy: -107.528
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -110.076
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: -150.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1587.339282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.339282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.339282 (E_RNA)
where:
Base-Base interactions energy: -1083.616
where: short stacking energy: -480.176
Base-Backbone interact. energy: -0.008
local terms energy: -503.714552
where:
bonds (distance) C4'-P energy: -101.885
bonds (distance) P-C4' energy: -85.709
flat angles C4'-P-C4' energy: -118.927
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -136.803
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: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1524.289944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.289944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.289944 (E_RNA)
where:
Base-Base interactions energy: -1019.315
where: short stacking energy: -445.517
Base-Backbone interact. energy: 2.974
local terms energy: -507.949601
where:
bonds (distance) C4'-P energy: -97.490
bonds (distance) P-C4' energy: -93.216
flat angles C4'-P-C4' energy: -107.615
flat angles P-C4'-P energy: -76.138
tors. eta vs tors. theta energy: -133.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1407.184265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.184265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.184265 (E_RNA)
where:
Base-Base interactions energy: -934.678
where: short stacking energy: -395.961
Base-Backbone interact. energy: 0.246
local terms energy: -472.752171
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -92.526
flat angles C4'-P-C4' energy: -94.059
flat angles P-C4'-P energy: -78.945
tors. eta vs tors. theta energy: -115.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1244.848159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.848159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.848159 (E_RNA)
where:
Base-Base interactions energy: -821.159
where: short stacking energy: -331.505
Base-Backbone interact. energy: -1.737
local terms energy: -421.952847
where:
bonds (distance) C4'-P energy: -84.554
bonds (distance) P-C4' energy: -98.218
flat angles C4'-P-C4' energy: -92.875
flat angles P-C4'-P energy: -68.207
tors. eta vs tors. theta energy: -78.098
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: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -862.957116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.957116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.957116 (E_RNA)
where:
Base-Base interactions energy: -538.439
where: short stacking energy: -253.183
Base-Backbone interact. energy: 0.996
local terms energy: -325.513618
where:
bonds (distance) C4'-P energy: -80.785
bonds (distance) P-C4' energy: -80.232
flat angles C4'-P-C4' energy: -78.576
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -34.918
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: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -604.819650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.819650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.819650 (E_RNA)
where:
Base-Base interactions energy: -300.805
where: short stacking energy: -170.768
Base-Backbone interact. energy: 0.241
local terms energy: -304.255538
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -88.797
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: 12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1906.818967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.818967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.818967 (E_RNA)
where:
Base-Base interactions energy: -1302.685
where: short stacking energy: -564.741
Base-Backbone interact. energy: -3.537
local terms energy: -600.596676
where:
bonds (distance) C4'-P energy: -111.611
bonds (distance) P-C4' energy: -106.933
flat angles C4'-P-C4' energy: -124.975
flat angles P-C4'-P energy: -91.938
tors. eta vs tors. theta energy: -165.140
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1774.456843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.456843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.456843 (E_RNA)
where:
Base-Base interactions energy: -1191.907
where: short stacking energy: -533.113
Base-Backbone interact. energy: -0.399
local terms energy: -582.149933
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -112.035
flat angles C4'-P-C4' energy: -121.054
flat angles P-C4'-P energy: -84.164
tors. eta vs tors. theta energy: -161.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1719.045619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.045619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.045619 (E_RNA)
where:
Base-Base interactions energy: -1204.512
where: short stacking energy: -509.961
Base-Backbone interact. energy: -2.564
local terms energy: -511.969893
where:
bonds (distance) C4'-P energy: -101.774
bonds (distance) P-C4' energy: -101.506
flat angles C4'-P-C4' energy: -113.592
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -130.548
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: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1676.345963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.345963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.345963 (E_RNA)
where:
Base-Base interactions energy: -1136.389
where: short stacking energy: -526.381
Base-Backbone interact. energy: -0.747
local terms energy: -539.210257
where:
bonds (distance) C4'-P energy: -102.234
bonds (distance) P-C4' energy: -89.812
flat angles C4'-P-C4' energy: -125.443
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -146.715
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1595.683922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.683922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.683922 (E_RNA)
where:
Base-Base interactions energy: -1088.569
where: short stacking energy: -474.278
Base-Backbone interact. energy: 1.504
local terms energy: -508.618216
where:
bonds (distance) C4'-P energy: -90.625
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -107.141
flat angles P-C4'-P energy: -69.989
tors. eta vs tors. theta energy: -138.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1521.195261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.195261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.195261 (E_RNA)
where:
Base-Base interactions energy: -1023.111
where: short stacking energy: -438.184
Base-Backbone interact. energy: -1.477
local terms energy: -496.607393
where:
bonds (distance) C4'-P energy: -95.101
bonds (distance) P-C4' energy: -98.297
flat angles C4'-P-C4' energy: -110.051
flat angles P-C4'-P energy: -73.410
tors. eta vs tors. theta energy: -119.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1403.571763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.571763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.571763 (E_RNA)
where:
Base-Base interactions energy: -944.249
where: short stacking energy: -410.231
Base-Backbone interact. energy: -2.141
local terms energy: -457.181333
where:
bonds (distance) C4'-P energy: -84.533
bonds (distance) P-C4' energy: -90.231
flat angles C4'-P-C4' energy: -109.209
flat angles P-C4'-P energy: -68.025
tors. eta vs tors. theta energy: -105.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1298.610980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.610980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.610980 (E_RNA)
where:
Base-Base interactions energy: -866.843
where: short stacking energy: -377.555
Base-Backbone interact. energy: 0.511
local terms energy: -432.279833
where:
bonds (distance) C4'-P energy: -93.865
bonds (distance) P-C4' energy: -69.582
flat angles C4'-P-C4' energy: -95.772
flat angles P-C4'-P energy: -71.577
tors. eta vs tors. theta energy: -101.483
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -921.247183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.247183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.247183 (E_RNA)
where:
Base-Base interactions energy: -557.207
where: short stacking energy: -235.176
Base-Backbone interact. energy: -2.416
local terms energy: -361.624487
where:
bonds (distance) C4'-P energy: -102.181
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -65.359
flat angles P-C4'-P energy: -55.408
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -656.582002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.582002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.582002 (E_RNA)
where:
Base-Base interactions energy: -332.844
where: short stacking energy: -195.640
Base-Backbone interact. energy: -2.045
local terms energy: -321.692896
where:
bonds (distance) C4'-P energy: -83.531
bonds (distance) P-C4' energy: -98.104
flat angles C4'-P-C4' energy: -84.425
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1933.626764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.626764 (E_RNA)
where:
Base-Base interactions energy: -1335.203
where: short stacking energy: -579.310
Base-Backbone interact. energy: -2.942
local terms energy: -595.481265
where:
bonds (distance) C4'-P energy: -116.089
bonds (distance) P-C4' energy: -110.636
flat angles C4'-P-C4' energy: -126.260
flat angles P-C4'-P energy: -76.040
tors. eta vs tors. theta energy: -166.457
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1804.783360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.783360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.783360 (E_RNA)
where:
Base-Base interactions energy: -1201.843
where: short stacking energy: -529.020
Base-Backbone interact. energy: -3.916
local terms energy: -599.024300
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -117.048
flat angles C4'-P-C4' energy: -126.147
flat angles P-C4'-P energy: -80.422
tors. eta vs tors. theta energy: -166.477
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: 147
Temperature: 1.000000
Total energy: -1737.667664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.667664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.667664 (E_RNA)
where:
Base-Base interactions energy: -1179.065
where: short stacking energy: -536.813
Base-Backbone interact. energy: -2.277
local terms energy: -556.325833
where:
bonds (distance) C4'-P energy: -92.749
bonds (distance) P-C4' energy: -110.776
flat angles C4'-P-C4' energy: -118.230
flat angles P-C4'-P energy: -81.765
tors. eta vs tors. theta energy: -152.805
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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1685.797346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.797346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.797346 (E_RNA)
where:
Base-Base interactions energy: -1148.393
where: short stacking energy: -518.535
Base-Backbone interact. energy: -2.356
local terms energy: -535.048371
where:
bonds (distance) C4'-P energy: -92.320
bonds (distance) P-C4' energy: -88.832
flat angles C4'-P-C4' energy: -116.876
flat angles P-C4'-P energy: -81.313
tors. eta vs tors. theta energy: -155.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1593.246128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.246128 (E_RNA)
where:
Base-Base interactions energy: -1086.397
where: short stacking energy: -473.671
Base-Backbone interact. energy: -2.652
local terms energy: -504.197167
where:
bonds (distance) C4'-P energy: -103.224
bonds (distance) P-C4' energy: -90.027
flat angles C4'-P-C4' energy: -104.333
flat angles P-C4'-P energy: -75.886
tors. eta vs tors. theta energy: -130.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1554.563133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.563133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.563133 (E_RNA)
where:
Base-Base interactions energy: -1058.724
where: short stacking energy: -458.086
Base-Backbone interact. energy: 1.272
local terms energy: -497.111078
where:
bonds (distance) C4'-P energy: -83.513
bonds (distance) P-C4' energy: -91.317
flat angles C4'-P-C4' energy: -113.188
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -135.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1387.774969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.774969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.774969 (E_RNA)
where:
Base-Base interactions energy: -922.530
where: short stacking energy: -401.275
Base-Backbone interact. energy: 0.188
local terms energy: -465.432887
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -94.813
flat angles C4'-P-C4' energy: -111.889
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -111.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1225.883044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.883044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.883044 (E_RNA)
where:
Base-Base interactions energy: -801.919
where: short stacking energy: -373.594
Base-Backbone interact. energy: -0.808
local terms energy: -423.156032
where:
bonds (distance) C4'-P energy: -92.264
bonds (distance) P-C4' energy: -85.309
flat angles C4'-P-C4' energy: -98.297
flat angles P-C4'-P energy: -66.453
tors. eta vs tors. theta energy: -80.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -878.841874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.841874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.841874 (E_RNA)
where:
Base-Base interactions energy: -540.629
where: short stacking energy: -245.436
Base-Backbone interact. energy: -1.902
local terms energy: -336.310751
where:
bonds (distance) C4'-P energy: -85.924
bonds (distance) P-C4' energy: -87.193
flat angles C4'-P-C4' energy: -85.415
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -35.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -587.920111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.920111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.920111 (E_RNA)
where:
Base-Base interactions energy: -295.209
where: short stacking energy: -171.510
Base-Backbone interact. energy: 0.659
local terms energy: -293.370072
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -71.222
flat angles C4'-P-C4' energy: -71.597
flat angles P-C4'-P energy: -51.885
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1899.349476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.349476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.349476 (E_RNA)
where:
Base-Base interactions energy: -1311.594
where: short stacking energy: -553.755
Base-Backbone interact. energy: -2.233
local terms energy: -585.522506
where:
bonds (distance) C4'-P energy: -107.907
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -125.852
flat angles P-C4'-P energy: -82.921
tors. eta vs tors. theta energy: -158.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1765.056412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.056412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.056412 (E_RNA)
where:
Base-Base interactions energy: -1214.324
where: short stacking energy: -526.368
Base-Backbone interact. energy: 1.382
local terms energy: -552.114065
where:
bonds (distance) C4'-P energy: -101.877
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -120.500
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -153.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1736.099549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.099549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.099549 (E_RNA)
where:
Base-Base interactions energy: -1194.502
where: short stacking energy: -531.682
Base-Backbone interact. energy: -1.942
local terms energy: -539.655040
where:
bonds (distance) C4'-P energy: -94.492
bonds (distance) P-C4' energy: -99.594
flat angles C4'-P-C4' energy: -115.675
flat angles P-C4'-P energy: -82.796
tors. eta vs tors. theta energy: -147.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1699.191551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.191551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.191551 (E_RNA)
where:
Base-Base interactions energy: -1160.796
where: short stacking energy: -519.123
Base-Backbone interact. energy: -0.120
local terms energy: -538.275228
where:
bonds (distance) C4'-P energy: -89.144
bonds (distance) P-C4' energy: -102.051
flat angles C4'-P-C4' energy: -116.135
flat angles P-C4'-P energy: -82.672
tors. eta vs tors. theta energy: -148.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1604.671792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.671792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.671792 (E_RNA)
where:
Base-Base interactions energy: -1071.132
where: short stacking energy: -465.129
Base-Backbone interact. energy: -1.176
local terms energy: -532.363628
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -99.062
flat angles C4'-P-C4' energy: -111.703
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -139.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1514.892611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.892611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.892611 (E_RNA)
where:
Base-Base interactions energy: -996.872
where: short stacking energy: -424.557
Base-Backbone interact. energy: -1.306
local terms energy: -516.714708
where:
bonds (distance) C4'-P energy: -99.206
bonds (distance) P-C4' energy: -98.893
flat angles C4'-P-C4' energy: -116.007
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -125.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1338.828135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.828135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.828135 (E_RNA)
where:
Base-Base interactions energy: -875.129
where: short stacking energy: -405.484
Base-Backbone interact. energy: -1.830
local terms energy: -461.868317
where:
bonds (distance) C4'-P energy: -90.181
bonds (distance) P-C4' energy: -100.277
flat angles C4'-P-C4' energy: -99.112
flat angles P-C4'-P energy: -65.943
tors. eta vs tors. theta energy: -106.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1210.065524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.065524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.065524 (E_RNA)
where:
Base-Base interactions energy: -775.004
where: short stacking energy: -340.006
Base-Backbone interact. energy: 2.756
local terms energy: -437.817202
where:
bonds (distance) C4'-P energy: -97.274
bonds (distance) P-C4' energy: -91.822
flat angles C4'-P-C4' energy: -101.905
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -68.495
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -890.464845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.464845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.464845 (E_RNA)
where:
Base-Base interactions energy: -539.157
where: short stacking energy: -256.619
Base-Backbone interact. energy: 7.158
local terms energy: -358.465659
where:
bonds (distance) C4'-P energy: -84.829
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -81.719
flat angles P-C4'-P energy: -62.933
tors. eta vs tors. theta energy: -37.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -536.751784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.751784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.751784 (E_RNA)
where:
Base-Base interactions energy: -246.664
where: short stacking energy: -163.918
Base-Backbone interact. energy: 8.985
local terms energy: -299.072710
where:
bonds (distance) C4'-P energy: -88.358
bonds (distance) P-C4' energy: -85.085
flat angles C4'-P-C4' energy: -97.779
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: 7.787
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: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1907.886305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.886305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.886305 (E_RNA)
where:
Base-Base interactions energy: -1316.197
where: short stacking energy: -553.659
Base-Backbone interact. energy: -2.365
local terms energy: -589.324506
where:
bonds (distance) C4'-P energy: -113.771
bonds (distance) P-C4' energy: -95.256
flat angles C4'-P-C4' energy: -127.864
flat angles P-C4'-P energy: -93.105
tors. eta vs tors. theta energy: -159.328
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: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1796.976610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.976610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.976610 (E_RNA)
where:
Base-Base interactions energy: -1220.235
where: short stacking energy: -549.266
Base-Backbone interact. energy: -3.191
local terms energy: -573.550345
where:
bonds (distance) C4'-P energy: -112.817
bonds (distance) P-C4' energy: -108.969
flat angles C4'-P-C4' energy: -117.189
flat angles P-C4'-P energy: -78.227
tors. eta vs tors. theta energy: -156.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1720.198547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.198547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.198547 (E_RNA)
where:
Base-Base interactions energy: -1168.073
where: short stacking energy: -539.788
Base-Backbone interact. energy: 0.074
local terms energy: -552.199647
where:
bonds (distance) C4'-P energy: -95.266
bonds (distance) P-C4' energy: -96.500
flat angles C4'-P-C4' energy: -125.208
flat angles P-C4'-P energy: -83.436
tors. eta vs tors. theta energy: -151.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1647.997243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.997243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.997243 (E_RNA)
where:
Base-Base interactions energy: -1122.549
where: short stacking energy: -482.846
Base-Backbone interact. energy: -1.325
local terms energy: -524.123891
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -113.145
flat angles C4'-P-C4' energy: -105.007
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -137.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1629.983973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.983973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.983973 (E_RNA)
where:
Base-Base interactions energy: -1122.794
where: short stacking energy: -478.596
Base-Backbone interact. energy: 0.224
local terms energy: -507.414918
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -96.040
flat angles C4'-P-C4' energy: -106.132
flat angles P-C4'-P energy: -68.868
tors. eta vs tors. theta energy: -137.174
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: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1544.079582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.079582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.079582 (E_RNA)
where:
Base-Base interactions energy: -1073.710
where: short stacking energy: -470.203
Base-Backbone interact. energy: 3.172
local terms energy: -473.541374
where:
bonds (distance) C4'-P energy: -72.492
bonds (distance) P-C4' energy: -96.548
flat angles C4'-P-C4' energy: -97.178
flat angles P-C4'-P energy: -68.155
tors. eta vs tors. theta energy: -139.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1361.359840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.359840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.359840 (E_RNA)
where:
Base-Base interactions energy: -917.804
where: short stacking energy: -415.030
Base-Backbone interact. energy: -0.505
local terms energy: -443.051500
where:
bonds (distance) C4'-P energy: -84.734
bonds (distance) P-C4' energy: -91.046
flat angles C4'-P-C4' energy: -91.458
flat angles P-C4'-P energy: -60.698
tors. eta vs tors. theta energy: -115.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1225.009022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.009022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.009022 (E_RNA)
where:
Base-Base interactions energy: -813.022
where: short stacking energy: -342.162
Base-Backbone interact. energy: 1.248
local terms energy: -413.234759
where:
bonds (distance) C4'-P energy: -69.732
bonds (distance) P-C4' energy: -86.014
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -62.260
tors. eta vs tors. theta energy: -93.079
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -903.074342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.074342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.074342 (E_RNA)
where:
Base-Base interactions energy: -549.115
where: short stacking energy: -259.498
Base-Backbone interact. energy: 0.083
local terms energy: -354.042932
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -106.027
flat angles C4'-P-C4' energy: -82.618
flat angles P-C4'-P energy: -45.699
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -615.929165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.929165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.929165 (E_RNA)
where:
Base-Base interactions energy: -318.094
where: short stacking energy: -188.048
Base-Backbone interact. energy: 0.534
local terms energy: -298.369656
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -102.872
flat angles C4'-P-C4' energy: -64.472
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1897.375974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.375974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.375974 (E_RNA)
where:
Base-Base interactions energy: -1297.782
where: short stacking energy: -574.126
Base-Backbone interact. energy: -1.518
local terms energy: -598.076127
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -118.316
flat angles P-C4'-P energy: -79.245
tors. eta vs tors. theta energy: -174.215
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1809.998406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.998406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.998406 (E_RNA)
where:
Base-Base interactions energy: -1234.523
where: short stacking energy: -546.355
Base-Backbone interact. energy: -1.597
local terms energy: -573.878174
where:
bonds (distance) C4'-P energy: -102.426
bonds (distance) P-C4' energy: -101.403
flat angles C4'-P-C4' energy: -122.373
flat angles P-C4'-P energy: -83.893
tors. eta vs tors. theta energy: -163.783
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: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1755.101481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.101481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.101481 (E_RNA)
where:
Base-Base interactions energy: -1208.494
where: short stacking energy: -545.659
Base-Backbone interact. energy: -2.124
local terms energy: -544.483781
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -112.696
flat angles C4'-P-C4' energy: -117.149
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -155.879
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1663.471181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.471181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.471181 (E_RNA)
where:
Base-Base interactions energy: -1137.629
where: short stacking energy: -503.868
Base-Backbone interact. energy: -0.928
local terms energy: -524.914213
where:
bonds (distance) C4'-P energy: -94.578
bonds (distance) P-C4' energy: -98.461
flat angles C4'-P-C4' energy: -108.495
flat angles P-C4'-P energy: -76.536
tors. eta vs tors. theta energy: -146.844
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1671.052422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.052422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.052422 (E_RNA)
where:
Base-Base interactions energy: -1152.606
where: short stacking energy: -495.955
Base-Backbone interact. energy: 4.734
local terms energy: -523.179601
where:
bonds (distance) C4'-P energy: -86.771
bonds (distance) P-C4' energy: -100.514
flat angles C4'-P-C4' energy: -113.971
flat angles P-C4'-P energy: -64.848
tors. eta vs tors. theta energy: -157.076
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: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1528.304009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.304009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.304009 (E_RNA)
where:
Base-Base interactions energy: -1053.409
where: short stacking energy: -459.322
Base-Backbone interact. energy: -0.941
local terms energy: -473.954572
where:
bonds (distance) C4'-P energy: -101.866
bonds (distance) P-C4' energy: -84.282
flat angles C4'-P-C4' energy: -86.715
flat angles P-C4'-P energy: -77.067
tors. eta vs tors. theta energy: -124.024
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1367.787556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.787556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.787556 (E_RNA)
where:
Base-Base interactions energy: -890.833
where: short stacking energy: -393.633
Base-Backbone interact. energy: 0.465
local terms energy: -477.418969
where:
bonds (distance) C4'-P energy: -94.605
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -105.613
flat angles P-C4'-P energy: -74.798
tors. eta vs tors. theta energy: -110.125
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: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1227.448711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.448711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.448711 (E_RNA)
where:
Base-Base interactions energy: -813.991
where: short stacking energy: -339.280
Base-Backbone interact. energy: -0.220
local terms energy: -413.237488
where:
bonds (distance) C4'-P energy: -98.297
bonds (distance) P-C4' energy: -88.337
flat angles C4'-P-C4' energy: -94.690
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -71.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -886.647907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.647907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.647907 (E_RNA)
where:
Base-Base interactions energy: -552.997
where: short stacking energy: -274.907
Base-Backbone interact. energy: 3.609
local terms energy: -337.259794
where:
bonds (distance) C4'-P energy: -84.856
bonds (distance) P-C4' energy: -80.752
flat angles C4'-P-C4' energy: -79.222
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -34.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -594.176156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.176156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.176156 (E_RNA)
where:
Base-Base interactions energy: -297.238
where: short stacking energy: -168.273
Base-Backbone interact. energy: 9.487
local terms energy: -306.425706
where:
bonds (distance) C4'-P energy: -87.775
bonds (distance) P-C4' energy: -99.379
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -1.902
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: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1890.647747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.647747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.647747 (E_RNA)
where:
Base-Base interactions energy: -1293.154
where: short stacking energy: -573.077
Base-Backbone interact. energy: -0.439
local terms energy: -597.055023
where:
bonds (distance) C4'-P energy: -104.168
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -95.075
tors. eta vs tors. theta energy: -176.886
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1779.850686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.850686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.850686 (E_RNA)
where:
Base-Base interactions energy: -1209.760
where: short stacking energy: -529.366
Base-Backbone interact. energy: -0.940
local terms energy: -569.151419
where:
bonds (distance) C4'-P energy: -92.487
bonds (distance) P-C4' energy: -107.186
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -164.421
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: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1716.298639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.298639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.298639 (E_RNA)
where:
Base-Base interactions energy: -1190.025
where: short stacking energy: -529.332
Base-Backbone interact. energy: -1.414
local terms energy: -524.859956
where:
bonds (distance) C4'-P energy: -106.699
bonds (distance) P-C4' energy: -90.423
flat angles C4'-P-C4' energy: -112.723
flat angles P-C4'-P energy: -73.711
tors. eta vs tors. theta energy: -141.303
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: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1647.856893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.856893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.856893 (E_RNA)
where:
Base-Base interactions energy: -1108.869
where: short stacking energy: -492.040
Base-Backbone interact. energy: 0.113
local terms energy: -539.101060
where:
bonds (distance) C4'-P energy: -96.541
bonds (distance) P-C4' energy: -103.261
flat angles C4'-P-C4' energy: -122.122
flat angles P-C4'-P energy: -80.761
tors. eta vs tors. theta energy: -136.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1636.194840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.194840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.194840 (E_RNA)
where:
Base-Base interactions energy: -1098.515
where: short stacking energy: -484.091
Base-Backbone interact. energy: -0.682
local terms energy: -536.998189
where:
bonds (distance) C4'-P energy: -110.015
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -115.431
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -143.785
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1542.309077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.309077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.309077 (E_RNA)
where:
Base-Base interactions energy: -1062.792
where: short stacking energy: -470.070
Base-Backbone interact. energy: -1.456
local terms energy: -478.060564
where:
bonds (distance) C4'-P energy: -89.332
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -108.422
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -113.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1415.821167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.821167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.821167 (E_RNA)
where:
Base-Base interactions energy: -919.438
where: short stacking energy: -400.602
Base-Backbone interact. energy: -2.621
local terms energy: -493.761410
where:
bonds (distance) C4'-P energy: -84.368
bonds (distance) P-C4' energy: -99.769
flat angles C4'-P-C4' energy: -113.950
flat angles P-C4'-P energy: -72.890
tors. eta vs tors. theta energy: -122.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1210.711641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.711641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.711641 (E_RNA)
where:
Base-Base interactions energy: -802.458
where: short stacking energy: -343.867
Base-Backbone interact. energy: -0.496
local terms energy: -407.758032
where:
bonds (distance) C4'-P energy: -92.683
bonds (distance) P-C4' energy: -77.964
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -51.545
tors. eta vs tors. theta energy: -78.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -863.603991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.603991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.603991 (E_RNA)
where:
Base-Base interactions energy: -502.183
where: short stacking energy: -230.571
Base-Backbone interact. energy: -0.484
local terms energy: -360.936866
where:
bonds (distance) C4'-P energy: -79.398
bonds (distance) P-C4' energy: -94.173
flat angles C4'-P-C4' energy: -105.730
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -561.140974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.140974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.140974 (E_RNA)
where:
Base-Base interactions energy: -273.647
where: short stacking energy: -153.254
Base-Backbone interact. energy: -3.448
local terms energy: -284.045120
where:
bonds (distance) C4'-P energy: -81.716
bonds (distance) P-C4' energy: -98.897
flat angles C4'-P-C4' energy: -84.118
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: 13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1917.935836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.935836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.935836 (E_RNA)
where:
Base-Base interactions energy: -1303.133
where: short stacking energy: -609.953
Base-Backbone interact. energy: -2.840
local terms energy: -611.962682
where:
bonds (distance) C4'-P energy: -103.480
bonds (distance) P-C4' energy: -111.946
flat angles C4'-P-C4' energy: -125.466
flat angles P-C4'-P energy: -86.666
tors. eta vs tors. theta energy: -184.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1776.619101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.619101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.619101 (E_RNA)
where:
Base-Base interactions energy: -1221.671
where: short stacking energy: -534.161
Base-Backbone interact. energy: -1.152
local terms energy: -553.795807
where:
bonds (distance) C4'-P energy: -105.884
bonds (distance) P-C4' energy: -90.955
flat angles C4'-P-C4' energy: -108.963
flat angles P-C4'-P energy: -92.046
tors. eta vs tors. theta energy: -155.948
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: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1724.492307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.492307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.492307 (E_RNA)
where:
Base-Base interactions energy: -1174.127
where: short stacking energy: -539.303
Base-Backbone interact. energy: 0.061
local terms energy: -550.426388
where:
bonds (distance) C4'-P energy: -109.412
bonds (distance) P-C4' energy: -77.977
flat angles C4'-P-C4' energy: -116.764
flat angles P-C4'-P energy: -85.264
tors. eta vs tors. theta energy: -161.009
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: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1672.396529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.396529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.396529 (E_RNA)
where:
Base-Base interactions energy: -1132.976
where: short stacking energy: -503.226
Base-Backbone interact. energy: -0.887
local terms energy: -538.533931
where:
bonds (distance) C4'-P energy: -103.506
bonds (distance) P-C4' energy: -100.631
flat angles C4'-P-C4' energy: -116.243
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -131.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1656.195163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.195163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.195163 (E_RNA)
where:
Base-Base interactions energy: -1111.530
where: short stacking energy: -496.842
Base-Backbone interact. energy: -0.677
local terms energy: -543.987842
where:
bonds (distance) C4'-P energy: -97.262
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -112.128
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -143.865
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: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1490.166643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.166643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.166643 (E_RNA)
where:
Base-Base interactions energy: -997.892
where: short stacking energy: -434.492
Base-Backbone interact. energy: -0.895
local terms energy: -491.379359
where:
bonds (distance) C4'-P energy: -89.514
bonds (distance) P-C4' energy: -98.763
flat angles C4'-P-C4' energy: -112.232
flat angles P-C4'-P energy: -69.888
tors. eta vs tors. theta energy: -120.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1430.747556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.747556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.747556 (E_RNA)
where:
Base-Base interactions energy: -996.165
where: short stacking energy: -429.694
Base-Backbone interact. energy: 2.795
local terms energy: -437.377958
where:
bonds (distance) C4'-P energy: -81.693
bonds (distance) P-C4' energy: -68.429
flat angles C4'-P-C4' energy: -101.878
flat angles P-C4'-P energy: -64.258
tors. eta vs tors. theta energy: -121.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1236.182415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.182415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.182415 (E_RNA)
where:
Base-Base interactions energy: -825.789
where: short stacking energy: -371.222
Base-Backbone interact. energy: -1.999
local terms energy: -408.394918
where:
bonds (distance) C4'-P energy: -70.524
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -85.481
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -90.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -885.570386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.570386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.570386 (E_RNA)
where:
Base-Base interactions energy: -547.693
where: short stacking energy: -253.522
Base-Backbone interact. energy: 3.164
local terms energy: -341.041021
where:
bonds (distance) C4'-P energy: -65.299
bonds (distance) P-C4' energy: -82.128
flat angles C4'-P-C4' energy: -101.818
flat angles P-C4'-P energy: -48.648
tors. eta vs tors. theta energy: -43.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -549.818456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.818456 (E_RNA)
where:
Base-Base interactions energy: -253.857
where: short stacking energy: -131.251
Base-Backbone interact. energy: 1.666
local terms energy: -297.627516
where:
bonds (distance) C4'-P energy: -93.766
bonds (distance) P-C4' energy: -90.122
flat angles C4'-P-C4' energy: -86.033
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: 23.252
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: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1911.496627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.496627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.496627 (E_RNA)
where:
Base-Base interactions energy: -1291.045
where: short stacking energy: -580.733
Base-Backbone interact. energy: -4.007
local terms energy: -616.445320
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -115.104
flat angles C4'-P-C4' energy: -124.837
flat angles P-C4'-P energy: -79.879
tors. eta vs tors. theta energy: -184.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1769.873202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.873202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.873202 (E_RNA)
where:
Base-Base interactions energy: -1201.196
where: short stacking energy: -506.818
Base-Backbone interact. energy: -2.740
local terms energy: -565.937296
where:
bonds (distance) C4'-P energy: -97.349
bonds (distance) P-C4' energy: -118.615
flat angles C4'-P-C4' energy: -112.985
flat angles P-C4'-P energy: -79.426
tors. eta vs tors. theta energy: -157.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1726.240914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.240914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.240914 (E_RNA)
where:
Base-Base interactions energy: -1177.347
where: short stacking energy: -510.700
Base-Backbone interact. energy: -0.470
local terms energy: -548.424540
where:
bonds (distance) C4'-P energy: -97.905
bonds (distance) P-C4' energy: -98.894
flat angles C4'-P-C4' energy: -116.998
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -154.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1681.710885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.710885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.710885 (E_RNA)
where:
Base-Base interactions energy: -1146.338
where: short stacking energy: -486.762
Base-Backbone interact. energy: -1.274
local terms energy: -534.099315
where:
bonds (distance) C4'-P energy: -91.161
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -114.765
flat angles P-C4'-P energy: -74.414
tors. eta vs tors. theta energy: -147.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1635.023450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.023450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.023450 (E_RNA)
where:
Base-Base interactions energy: -1107.482
where: short stacking energy: -496.890
Base-Backbone interact. energy: -2.013
local terms energy: -525.528946
where:
bonds (distance) C4'-P energy: -94.782
bonds (distance) P-C4' energy: -95.158
flat angles C4'-P-C4' energy: -113.050
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -137.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1483.806224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.806224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.806224 (E_RNA)
where:
Base-Base interactions energy: -1000.670
where: short stacking energy: -437.198
Base-Backbone interact. energy: -2.905
local terms energy: -480.230588
where:
bonds (distance) C4'-P energy: -99.540
bonds (distance) P-C4' energy: -90.310
flat angles C4'-P-C4' energy: -102.482
flat angles P-C4'-P energy: -79.033
tors. eta vs tors. theta energy: -108.866
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: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1491.832023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.832023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.832023 (E_RNA)
where:
Base-Base interactions energy: -998.892
where: short stacking energy: -417.609
Base-Backbone interact. energy: -2.329
local terms energy: -490.610678
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -107.938
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -125.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1209.991534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.991534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.991534 (E_RNA)
where:
Base-Base interactions energy: -797.656
where: short stacking energy: -347.525
Base-Backbone interact. energy: 8.533
local terms energy: -420.868329
where:
bonds (distance) C4'-P energy: -92.660
bonds (distance) P-C4' energy: -95.268
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -62.516
tors. eta vs tors. theta energy: -72.315
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -892.694460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.694460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.694460 (E_RNA)
where:
Base-Base interactions energy: -526.991
where: short stacking energy: -241.541
Base-Backbone interact. energy: -1.718
local terms energy: -363.984993
where:
bonds (distance) C4'-P energy: -86.525
bonds (distance) P-C4' energy: -99.151
flat angles C4'-P-C4' energy: -85.509
flat angles P-C4'-P energy: -50.248
tors. eta vs tors. theta energy: -42.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -533.954274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.954274 (E_RNA)
where:
Base-Base interactions energy: -246.300
where: short stacking energy: -150.710
Base-Backbone interact. energy: -2.931
local terms energy: -284.722955
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -103.481
flat angles C4'-P-C4' energy: -73.269
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: 4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1925.493343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.493343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.493343 (E_RNA)
where:
Base-Base interactions energy: -1306.726
where: short stacking energy: -595.302
Base-Backbone interact. energy: -5.699
local terms energy: -613.068627
where:
bonds (distance) C4'-P energy: -113.825
bonds (distance) P-C4' energy: -111.494
flat angles C4'-P-C4' energy: -123.827
flat angles P-C4'-P energy: -81.199
tors. eta vs tors. theta energy: -182.723
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: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1781.499751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.499751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.499751 (E_RNA)
where:
Base-Base interactions energy: -1226.929
where: short stacking energy: -543.048
Base-Backbone interact. energy: -1.456
local terms energy: -553.114795
where:
bonds (distance) C4'-P energy: -100.337
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -124.203
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -150.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1727.420566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.420566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.420566 (E_RNA)
where:
Base-Base interactions energy: -1175.478
where: short stacking energy: -512.322
Base-Backbone interact. energy: 0.432
local terms energy: -552.374633
where:
bonds (distance) C4'-P energy: -98.085
bonds (distance) P-C4' energy: -107.671
flat angles C4'-P-C4' energy: -121.269
flat angles P-C4'-P energy: -78.872
tors. eta vs tors. theta energy: -146.478
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: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1650.172929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.172929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.172929 (E_RNA)
where:
Base-Base interactions energy: -1187.617
where: short stacking energy: -514.402
Base-Backbone interact. energy: -0.934
local terms energy: -461.622233
where:
bonds (distance) C4'-P energy: -98.738
bonds (distance) P-C4' energy: -94.082
flat angles C4'-P-C4' energy: -101.747
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -125.789
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: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1627.412074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.412074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.412074 (E_RNA)
where:
Base-Base interactions energy: -1104.488
where: short stacking energy: -481.322
Base-Backbone interact. energy: -1.855
local terms energy: -521.069576
where:
bonds (distance) C4'-P energy: -95.049
bonds (distance) P-C4' energy: -102.925
flat angles C4'-P-C4' energy: -109.715
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -133.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1473.050951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.050951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.050951 (E_RNA)
where:
Base-Base interactions energy: -993.141
where: short stacking energy: -456.929
Base-Backbone interact. energy: -1.666
local terms energy: -478.243491
where:
bonds (distance) C4'-P energy: -103.279
bonds (distance) P-C4' energy: -86.871
flat angles C4'-P-C4' energy: -100.089
flat angles P-C4'-P energy: -65.536
tors. eta vs tors. theta energy: -122.469
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1476.260375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.260375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.260375 (E_RNA)
where:
Base-Base interactions energy: -1001.700
where: short stacking energy: -454.447
Base-Backbone interact. energy: 1.991
local terms energy: -476.550903
where:
bonds (distance) C4'-P energy: -83.470
bonds (distance) P-C4' energy: -95.906
flat angles C4'-P-C4' energy: -111.445
flat angles P-C4'-P energy: -72.997
tors. eta vs tors. theta energy: -112.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1182.036358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.036358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.036358 (E_RNA)
where:
Base-Base interactions energy: -756.546
where: short stacking energy: -326.697
Base-Backbone interact. energy: -0.344
local terms energy: -425.145640
where:
bonds (distance) C4'-P energy: -98.764
bonds (distance) P-C4' energy: -95.537
flat angles C4'-P-C4' energy: -106.398
flat angles P-C4'-P energy: -63.047
tors. eta vs tors. theta energy: -61.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -869.120629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.120629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.120629 (E_RNA)
where:
Base-Base interactions energy: -497.269
where: short stacking energy: -242.413
Base-Backbone interact. energy: -0.400
local terms energy: -371.451664
where:
bonds (distance) C4'-P energy: -94.128
bonds (distance) P-C4' energy: -108.677
flat angles C4'-P-C4' energy: -83.523
flat angles P-C4'-P energy: -60.285
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -556.025949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.025949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.025949 (E_RNA)
where:
Base-Base interactions energy: -263.735
where: short stacking energy: -156.180
Base-Backbone interact. energy: 3.058
local terms energy: -295.349154
where:
bonds (distance) C4'-P energy: -81.334
bonds (distance) P-C4' energy: -80.082
flat angles C4'-P-C4' energy: -87.915
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -3.630
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: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1906.929541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.929541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.929541 (E_RNA)
where:
Base-Base interactions energy: -1293.966
where: short stacking energy: -585.459
Base-Backbone interact. energy: -0.977
local terms energy: -611.986616
where:
bonds (distance) C4'-P energy: -105.725
bonds (distance) P-C4' energy: -111.828
flat angles C4'-P-C4' energy: -131.238
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -180.978
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: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1786.130771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.130771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.130771 (E_RNA)
where:
Base-Base interactions energy: -1195.937
where: short stacking energy: -544.540
Base-Backbone interact. energy: -1.125
local terms energy: -589.068291
where:
bonds (distance) C4'-P energy: -108.509
bonds (distance) P-C4' energy: -109.086
flat angles C4'-P-C4' energy: -122.472
flat angles P-C4'-P energy: -88.493
tors. eta vs tors. theta energy: -160.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1706.911405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.911405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.911405 (E_RNA)
where:
Base-Base interactions energy: -1185.481
where: short stacking energy: -533.580
Base-Backbone interact. energy: 2.624
local terms energy: -524.053954
where:
bonds (distance) C4'-P energy: -85.190
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -115.030
flat angles P-C4'-P energy: -80.322
tors. eta vs tors. theta energy: -151.198
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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1667.141094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.141094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.141094 (E_RNA)
where:
Base-Base interactions energy: -1159.031
where: short stacking energy: -503.184
Base-Backbone interact. energy: 0.681
local terms energy: -508.790368
where:
bonds (distance) C4'-P energy: -105.106
bonds (distance) P-C4' energy: -98.491
flat angles C4'-P-C4' energy: -103.812
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -133.242
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: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1579.868155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.868155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.868155 (E_RNA)
where:
Base-Base interactions energy: -1082.426
where: short stacking energy: -477.643
Base-Backbone interact. energy: -5.161
local terms energy: -492.280831
where:
bonds (distance) C4'-P energy: -80.219
bonds (distance) P-C4' energy: -93.157
flat angles C4'-P-C4' energy: -113.509
flat angles P-C4'-P energy: -72.402
tors. eta vs tors. theta energy: -132.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1531.731881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.731881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.731881 (E_RNA)
where:
Base-Base interactions energy: -1033.690
where: short stacking energy: -445.243
Base-Backbone interact. energy: 2.779
local terms energy: -500.821296
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -104.680
flat angles C4'-P-C4' energy: -102.030
flat angles P-C4'-P energy: -76.907
tors. eta vs tors. theta energy: -125.282
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: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1426.982227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.982227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.982227 (E_RNA)
where:
Base-Base interactions energy: -973.574
where: short stacking energy: -406.976
Base-Backbone interact. energy: -1.367
local terms energy: -452.041061
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -104.716
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: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1219.990277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.990277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.990277 (E_RNA)
where:
Base-Base interactions energy: -789.016
where: short stacking energy: -361.903
Base-Backbone interact. energy: -1.544
local terms energy: -429.430215
where:
bonds (distance) C4'-P energy: -84.670
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -102.908
flat angles P-C4'-P energy: -57.830
tors. eta vs tors. theta energy: -83.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -839.843142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.843142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.843142 (E_RNA)
where:
Base-Base interactions energy: -522.255
where: short stacking energy: -231.451
Base-Backbone interact. energy: 6.123
local terms energy: -323.710989
where:
bonds (distance) C4'-P energy: -75.553
bonds (distance) P-C4' energy: -92.868
flat angles C4'-P-C4' energy: -74.828
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -34.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -525.623491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.623491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.623491 (E_RNA)
where:
Base-Base interactions energy: -226.802
where: short stacking energy: -147.453
Base-Backbone interact. energy: -1.964
local terms energy: -296.857620
where:
bonds (distance) C4'-P energy: -89.472
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -82.295
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: 3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1906.151865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.151865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.151865 (E_RNA)
where:
Base-Base interactions energy: -1293.650
where: short stacking energy: -583.518
Base-Backbone interact. energy: -3.370
local terms energy: -609.132567
where:
bonds (distance) C4'-P energy: -111.146
bonds (distance) P-C4' energy: -110.355
flat angles C4'-P-C4' energy: -124.361
flat angles P-C4'-P energy: -87.723
tors. eta vs tors. theta energy: -175.548
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: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1802.477412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.477412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.477412 (E_RNA)
where:
Base-Base interactions energy: -1225.556
where: short stacking energy: -531.733
Base-Backbone interact. energy: -2.074
local terms energy: -574.846858
where:
bonds (distance) C4'-P energy: -115.020
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -110.298
flat angles P-C4'-P energy: -73.083
tors. eta vs tors. theta energy: -169.662
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: 156
Temperature: 1.000000
Total energy: -1742.350982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.350982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.350982 (E_RNA)
where:
Base-Base interactions energy: -1175.883
where: short stacking energy: -517.379
Base-Backbone interact. energy: -2.250
local terms energy: -564.218414
where:
bonds (distance) C4'-P energy: -96.526
bonds (distance) P-C4' energy: -111.651
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -152.142
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: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1660.568432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.568432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.568432 (E_RNA)
where:
Base-Base interactions energy: -1143.999
where: short stacking energy: -496.430
Base-Backbone interact. energy: 1.829
local terms energy: -518.398728
where:
bonds (distance) C4'-P energy: -86.555
bonds (distance) P-C4' energy: -98.768
flat angles C4'-P-C4' energy: -111.287
flat angles P-C4'-P energy: -82.492
tors. eta vs tors. theta energy: -139.297
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: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1628.462114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.462114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.462114 (E_RNA)
where:
Base-Base interactions energy: -1099.981
where: short stacking energy: -477.449
Base-Backbone interact. energy: -2.814
local terms energy: -525.667227
where:
bonds (distance) C4'-P energy: -101.667
bonds (distance) P-C4' energy: -88.749
flat angles C4'-P-C4' energy: -122.103
flat angles P-C4'-P energy: -68.292
tors. eta vs tors. theta energy: -144.856
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: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1533.270860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.270860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.270860 (E_RNA)
where:
Base-Base interactions energy: -1018.040
where: short stacking energy: -464.546
Base-Backbone interact. energy: -1.370
local terms energy: -513.860720
where:
bonds (distance) C4'-P energy: -81.925
bonds (distance) P-C4' energy: -103.831
flat angles C4'-P-C4' energy: -120.126
flat angles P-C4'-P energy: -70.951
tors. eta vs tors. theta energy: -137.028
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: 156
Temperature: 1.200000
Total energy: -1303.730942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.730942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.730942 (E_RNA)
where:
Base-Base interactions energy: -847.895
where: short stacking energy: -381.904
Base-Backbone interact. energy: -0.004
local terms energy: -455.831885
where:
bonds (distance) C4'-P energy: -98.138
bonds (distance) P-C4' energy: -104.241
flat angles C4'-P-C4' energy: -105.349
flat angles P-C4'-P energy: -58.998
tors. eta vs tors. theta energy: -89.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1417.397953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.397953 (E_RNA)
where:
Base-Base interactions energy: -999.521
where: short stacking energy: -429.678
Base-Backbone interact. energy: -2.351
local terms energy: -415.525308
where:
bonds (distance) C4'-P energy: -63.754
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -101.613
flat angles P-C4'-P energy: -69.032
tors. eta vs tors. theta energy: -105.010
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: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -813.319003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.319003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.319003 (E_RNA)
where:
Base-Base interactions energy: -468.151
where: short stacking energy: -221.396
Base-Backbone interact. energy: 1.473
local terms energy: -346.641193
where:
bonds (distance) C4'-P energy: -78.030
bonds (distance) P-C4' energy: -100.404
flat angles C4'-P-C4' energy: -76.546
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -582.152592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.152592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.152592 (E_RNA)
where:
Base-Base interactions energy: -274.909
where: short stacking energy: -189.207
Base-Backbone interact. energy: -2.923
local terms energy: -304.320408
where:
bonds (distance) C4'-P energy: -83.252
bonds (distance) P-C4' energy: -78.971
flat angles C4'-P-C4' energy: -75.032
flat angles P-C4'-P energy: -49.634
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1907.854852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.854852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.854852 (E_RNA)
where:
Base-Base interactions energy: -1302.956
where: short stacking energy: -567.923
Base-Backbone interact. energy: -0.687
local terms energy: -604.210940
where:
bonds (distance) C4'-P energy: -116.098
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -116.406
flat angles P-C4'-P energy: -100.311
tors. eta vs tors. theta energy: -169.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1807.960150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.960150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.960150 (E_RNA)
where:
Base-Base interactions energy: -1244.124
where: short stacking energy: -544.120
Base-Backbone interact. energy: -0.693
local terms energy: -563.143148
where:
bonds (distance) C4'-P energy: -106.390
bonds (distance) P-C4' energy: -98.651
flat angles C4'-P-C4' energy: -116.096
flat angles P-C4'-P energy: -86.081
tors. eta vs tors. theta energy: -155.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1727.201199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.201199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.201199 (E_RNA)
where:
Base-Base interactions energy: -1153.864
where: short stacking energy: -543.452
Base-Backbone interact. energy: -1.281
local terms energy: -572.056278
where:
bonds (distance) C4'-P energy: -107.370
bonds (distance) P-C4' energy: -107.262
flat angles C4'-P-C4' energy: -116.622
flat angles P-C4'-P energy: -84.841
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: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1661.161634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.161634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.161634 (E_RNA)
where:
Base-Base interactions energy: -1104.742
where: short stacking energy: -490.340
Base-Backbone interact. energy: -0.806
local terms energy: -555.613424
where:
bonds (distance) C4'-P energy: -111.013
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -112.751
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -144.835
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: 157
Temperature: 1.100000
Total energy: -1612.084577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.084577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.084577 (E_RNA)
where:
Base-Base interactions energy: -1112.573
where: short stacking energy: -488.843
Base-Backbone interact. energy: 0.159
local terms energy: -499.670067
where:
bonds (distance) C4'-P energy: -88.161
bonds (distance) P-C4' energy: -91.167
flat angles C4'-P-C4' energy: -122.778
flat angles P-C4'-P energy: -67.415
tors. eta vs tors. theta energy: -130.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1521.274308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.274308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.274308 (E_RNA)
where:
Base-Base interactions energy: -1029.067
where: short stacking energy: -453.846
Base-Backbone interact. energy: -2.863
local terms energy: -489.344737
where:
bonds (distance) C4'-P energy: -98.004
bonds (distance) P-C4' energy: -86.929
flat angles C4'-P-C4' energy: -110.384
flat angles P-C4'-P energy: -77.316
tors. eta vs tors. theta energy: -116.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1281.932840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.932840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.932840 (E_RNA)
where:
Base-Base interactions energy: -838.113
where: short stacking energy: -356.489
Base-Backbone interact. energy: -2.183
local terms energy: -441.636748
where:
bonds (distance) C4'-P energy: -99.742
bonds (distance) P-C4' energy: -101.320
flat angles C4'-P-C4' energy: -91.769
flat angles P-C4'-P energy: -57.955
tors. eta vs tors. theta energy: -90.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1417.574709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.574709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.574709 (E_RNA)
where:
Base-Base interactions energy: -955.775
where: short stacking energy: -402.785
Base-Backbone interact. energy: -2.040
local terms energy: -459.759733
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -94.906
flat angles C4'-P-C4' energy: -87.127
flat angles P-C4'-P energy: -68.205
tors. eta vs tors. theta energy: -110.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -820.105904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.105904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.105904 (E_RNA)
where:
Base-Base interactions energy: -458.404
where: short stacking energy: -232.701
Base-Backbone interact. energy: 7.195
local terms energy: -368.897585
where:
bonds (distance) C4'-P energy: -87.850
bonds (distance) P-C4' energy: -107.711
flat angles C4'-P-C4' energy: -84.901
flat angles P-C4'-P energy: -68.078
tors. eta vs tors. theta energy: -20.358
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -622.388326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.388326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.388326 (E_RNA)
where:
Base-Base interactions energy: -328.408
where: short stacking energy: -193.645
Base-Backbone interact. energy: 3.784
local terms energy: -297.764783
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -84.324
flat angles C4'-P-C4' energy: -60.959
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: 4.782
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1877.702953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.702953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.702953 (E_RNA)
where:
Base-Base interactions energy: -1271.135
where: short stacking energy: -577.633
Base-Backbone interact. energy: -1.466
local terms energy: -605.102181
where:
bonds (distance) C4'-P energy: -112.286
bonds (distance) P-C4' energy: -114.226
flat angles C4'-P-C4' energy: -124.871
flat angles P-C4'-P energy: -82.701
tors. eta vs tors. theta energy: -171.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1828.016228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.016228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.016228 (E_RNA)
where:
Base-Base interactions energy: -1242.910
where: short stacking energy: -550.544
Base-Backbone interact. energy: -3.879
local terms energy: -581.226584
where:
bonds (distance) C4'-P energy: -114.225
bonds (distance) P-C4' energy: -93.214
flat angles C4'-P-C4' energy: -132.344
flat angles P-C4'-P energy: -69.348
tors. eta vs tors. theta energy: -172.096
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: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1716.875925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.875925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.875925 (E_RNA)
where:
Base-Base interactions energy: -1177.254
where: short stacking energy: -525.052
Base-Backbone interact. energy: -1.871
local terms energy: -537.751295
where:
bonds (distance) C4'-P energy: -101.806
bonds (distance) P-C4' energy: -100.722
flat angles C4'-P-C4' energy: -109.537
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -150.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1655.427378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.427378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.427378 (E_RNA)
where:
Base-Base interactions energy: -1117.566
where: short stacking energy: -501.352
Base-Backbone interact. energy: -3.179
local terms energy: -534.682028
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -117.987
flat angles P-C4'-P energy: -70.195
tors. eta vs tors. theta energy: -147.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1608.957593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.957593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.957593 (E_RNA)
where:
Base-Base interactions energy: -1093.231
where: short stacking energy: -469.728
Base-Backbone interact. energy: -3.004
local terms energy: -512.722742
where:
bonds (distance) C4'-P energy: -85.473
bonds (distance) P-C4' energy: -102.784
flat angles C4'-P-C4' energy: -114.203
flat angles P-C4'-P energy: -79.380
tors. eta vs tors. theta energy: -130.883
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: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1522.874323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.874323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.874323 (E_RNA)
where:
Base-Base interactions energy: -1010.517
where: short stacking energy: -441.535
Base-Backbone interact. energy: -3.501
local terms energy: -508.856266
where:
bonds (distance) C4'-P energy: -98.611
bonds (distance) P-C4' energy: -91.420
flat angles C4'-P-C4' energy: -112.688
flat angles P-C4'-P energy: -89.574
tors. eta vs tors. theta energy: -116.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1318.904799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.904799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.904799 (E_RNA)
where:
Base-Base interactions energy: -882.942
where: short stacking energy: -382.999
Base-Backbone interact. energy: -2.025
local terms energy: -433.938024
where:
bonds (distance) C4'-P energy: -81.588
bonds (distance) P-C4' energy: -98.928
flat angles C4'-P-C4' energy: -89.067
flat angles P-C4'-P energy: -70.425
tors. eta vs tors. theta energy: -93.929
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1338.797991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.797991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.797991 (E_RNA)
where:
Base-Base interactions energy: -906.966
where: short stacking energy: -396.376
Base-Backbone interact. energy: -1.147
local terms energy: -430.684631
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -101.170
flat angles C4'-P-C4' energy: -101.564
flat angles P-C4'-P energy: -62.711
tors. eta vs tors. theta energy: -105.143
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: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -826.329299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.329299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.329299 (E_RNA)
where:
Base-Base interactions energy: -508.874
where: short stacking energy: -238.815
Base-Backbone interact. energy: 1.079
local terms energy: -318.534790
where:
bonds (distance) C4'-P energy: -56.802
bonds (distance) P-C4' energy: -106.340
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -59.120
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: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -619.262494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.262494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.262494 (E_RNA)
where:
Base-Base interactions energy: -328.737
where: short stacking energy: -186.062
Base-Backbone interact. energy: -0.133
local terms energy: -290.392316
where:
bonds (distance) C4'-P energy: -71.112
bonds (distance) P-C4' energy: -81.841
flat angles C4'-P-C4' energy: -83.158
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1893.787339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.787339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.787339 (E_RNA)
where:
Base-Base interactions energy: -1296.733
where: short stacking energy: -577.195
Base-Backbone interact. energy: -0.842
local terms energy: -596.213038
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -106.440
flat angles C4'-P-C4' energy: -124.207
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -159.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1788.022762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.022762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.022762 (E_RNA)
where:
Base-Base interactions energy: -1227.408
where: short stacking energy: -554.959
Base-Backbone interact. energy: -2.026
local terms energy: -558.589661
where:
bonds (distance) C4'-P energy: -96.594
bonds (distance) P-C4' energy: -103.014
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -158.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1744.267837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.267837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.267837 (E_RNA)
where:
Base-Base interactions energy: -1188.178
where: short stacking energy: -545.004
Base-Backbone interact. energy: -2.757
local terms energy: -553.332382
where:
bonds (distance) C4'-P energy: -109.568
bonds (distance) P-C4' energy: -85.102
flat angles C4'-P-C4' energy: -115.427
flat angles P-C4'-P energy: -83.476
tors. eta vs tors. theta energy: -159.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1676.999594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.999594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.999594 (E_RNA)
where:
Base-Base interactions energy: -1145.200
where: short stacking energy: -524.679
Base-Backbone interact. energy: -1.134
local terms energy: -530.664677
where:
bonds (distance) C4'-P energy: -103.171
bonds (distance) P-C4' energy: -96.393
flat angles C4'-P-C4' energy: -116.783
flat angles P-C4'-P energy: -67.013
tors. eta vs tors. theta energy: -147.306
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: 159
Temperature: 1.100000
Total energy: -1649.805004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.805004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.805004 (E_RNA)
where:
Base-Base interactions energy: -1126.079
where: short stacking energy: -492.751
Base-Backbone interact. energy: -1.362
local terms energy: -522.364075
where:
bonds (distance) C4'-P energy: -95.127
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -120.087
flat angles P-C4'-P energy: -70.900
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: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1533.728501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.728501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.728501 (E_RNA)
where:
Base-Base interactions energy: -1019.399
where: short stacking energy: -448.199
Base-Backbone interact. energy: -1.129
local terms energy: -513.200925
where:
bonds (distance) C4'-P energy: -88.687
bonds (distance) P-C4' energy: -107.065
flat angles C4'-P-C4' energy: -120.146
flat angles P-C4'-P energy: -74.258
tors. eta vs tors. theta energy: -123.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1317.306217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.306217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.306217 (E_RNA)
where:
Base-Base interactions energy: -873.551
where: short stacking energy: -376.181
Base-Backbone interact. energy: -1.123
local terms energy: -442.632232
where:
bonds (distance) C4'-P energy: -80.114
bonds (distance) P-C4' energy: -99.636
flat angles C4'-P-C4' energy: -101.044
flat angles P-C4'-P energy: -74.695
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1317.581731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.581731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.581731 (E_RNA)
where:
Base-Base interactions energy: -886.628
where: short stacking energy: -391.450
Base-Backbone interact. energy: -0.268
local terms energy: -430.685352
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -92.863
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -98.112
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: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -830.992618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.992618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.992618 (E_RNA)
where:
Base-Base interactions energy: -489.424
where: short stacking energy: -227.066
Base-Backbone interact. energy: 1.663
local terms energy: -343.231514
where:
bonds (distance) C4'-P energy: -78.369
bonds (distance) P-C4' energy: -100.830
flat angles C4'-P-C4' energy: -89.367
flat angles P-C4'-P energy: -48.287
tors. eta vs tors. theta energy: -26.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -569.319584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.319584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.319584 (E_RNA)
where:
Base-Base interactions energy: -281.998
where: short stacking energy: -147.020
Base-Backbone interact. energy: -0.519
local terms energy: -286.802412
where:
bonds (distance) C4'-P energy: -91.734
bonds (distance) P-C4' energy: -102.814
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: 20.469
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: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1886.457696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.457696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.457696 (E_RNA)
where:
Base-Base interactions energy: -1308.789
where: short stacking energy: -558.865
Base-Backbone interact. energy: 1.891
local terms energy: -579.560322
where:
bonds (distance) C4'-P energy: -101.696
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -119.933
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -175.985
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: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1766.882712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.882712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.882712 (E_RNA)
where:
Base-Base interactions energy: -1222.507
where: short stacking energy: -515.521
Base-Backbone interact. energy: -4.639
local terms energy: -539.737249
where:
bonds (distance) C4'-P energy: -97.598
bonds (distance) P-C4' energy: -100.545
flat angles C4'-P-C4' energy: -103.509
flat angles P-C4'-P energy: -88.660
tors. eta vs tors. theta energy: -149.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1722.971210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.971210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.971210 (E_RNA)
where:
Base-Base interactions energy: -1157.643
where: short stacking energy: -516.129
Base-Backbone interact. energy: -0.061
local terms energy: -565.266418
where:
bonds (distance) C4'-P energy: -113.024
bonds (distance) P-C4' energy: -105.461
flat angles C4'-P-C4' energy: -119.882
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: -151.703
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: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1679.542442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.542442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.542442 (E_RNA)
where:
Base-Base interactions energy: -1141.216
where: short stacking energy: -482.531
Base-Backbone interact. energy: 0.067
local terms energy: -538.394123
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -108.442
flat angles C4'-P-C4' energy: -111.063
flat angles P-C4'-P energy: -80.458
tors. eta vs tors. theta energy: -144.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1630.355777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.355777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.355777 (E_RNA)
where:
Base-Base interactions energy: -1100.395
where: short stacking energy: -479.652
Base-Backbone interact. energy: -0.555
local terms energy: -529.405659
where:
bonds (distance) C4'-P energy: -92.338
bonds (distance) P-C4' energy: -102.908
flat angles C4'-P-C4' energy: -118.141
flat angles P-C4'-P energy: -78.796
tors. eta vs tors. theta energy: -137.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1519.265922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.265922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.265922 (E_RNA)
where:
Base-Base interactions energy: -1007.859
where: short stacking energy: -463.136
Base-Backbone interact. energy: -0.158
local terms energy: -511.249399
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -104.849
flat angles C4'-P-C4' energy: -113.412
flat angles P-C4'-P energy: -72.523
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: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1359.205494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.205494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.205494 (E_RNA)
where:
Base-Base interactions energy: -888.387
where: short stacking energy: -387.072
Base-Backbone interact. energy: -1.356
local terms energy: -469.462628
where:
bonds (distance) C4'-P energy: -98.235
bonds (distance) P-C4' energy: -92.303
flat angles C4'-P-C4' energy: -113.265
flat angles P-C4'-P energy: -65.652
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: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1266.807798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.807798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.807798 (E_RNA)
where:
Base-Base interactions energy: -823.781
where: short stacking energy: -363.065
Base-Backbone interact. energy: 0.697
local terms energy: -443.723672
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -108.842
flat angles C4'-P-C4' energy: -94.232
flat angles P-C4'-P energy: -69.420
tors. eta vs tors. theta energy: -96.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -823.054615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.054615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.054615 (E_RNA)
where:
Base-Base interactions energy: -493.043
where: short stacking energy: -247.427
Base-Backbone interact. energy: -2.062
local terms energy: -327.949738
where:
bonds (distance) C4'-P energy: -78.468
bonds (distance) P-C4' energy: -92.286
flat angles C4'-P-C4' energy: -75.164
flat angles P-C4'-P energy: -36.180
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -497.339980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.339980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.339980 (E_RNA)
where:
Base-Base interactions energy: -206.325
where: short stacking energy: -155.208
Base-Backbone interact. energy: -2.142
local terms energy: -288.873590
where:
bonds (distance) C4'-P energy: -68.142
bonds (distance) P-C4' energy: -97.055
flat angles C4'-P-C4' energy: -82.100
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1897.916000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.916000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.916000 (E_RNA)
where:
Base-Base interactions energy: -1285.262
where: short stacking energy: -548.762
Base-Backbone interact. energy: -4.222
local terms energy: -608.432181
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -98.775
flat angles C4'-P-C4' energy: -126.360
flat angles P-C4'-P energy: -92.930
tors. eta vs tors. theta energy: -173.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1751.877171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.877171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.877171 (E_RNA)
where:
Base-Base interactions energy: -1199.544
where: short stacking energy: -544.223
Base-Backbone interact. energy: -0.284
local terms energy: -552.049438
where:
bonds (distance) C4'-P energy: -108.897
bonds (distance) P-C4' energy: -104.108
flat angles C4'-P-C4' energy: -108.829
flat angles P-C4'-P energy: -79.435
tors. eta vs tors. theta energy: -150.780
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1732.023733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.023733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.023733 (E_RNA)
where:
Base-Base interactions energy: -1193.241
where: short stacking energy: -485.111
Base-Backbone interact. energy: -2.617
local terms energy: -536.165327
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -99.418
flat angles C4'-P-C4' energy: -107.913
flat angles P-C4'-P energy: -83.338
tors. eta vs tors. theta energy: -148.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1685.708367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.708367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.708367 (E_RNA)
where:
Base-Base interactions energy: -1154.166
where: short stacking energy: -503.501
Base-Backbone interact. energy: -2.174
local terms energy: -529.368322
where:
bonds (distance) C4'-P energy: -94.320
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -115.439
flat angles P-C4'-P energy: -86.413
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: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1592.723211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.723211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.723211 (E_RNA)
where:
Base-Base interactions energy: -1093.550
where: short stacking energy: -465.988
Base-Backbone interact. energy: -0.830
local terms energy: -498.343398
where:
bonds (distance) C4'-P energy: -86.559
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -110.927
flat angles P-C4'-P energy: -64.660
tors. eta vs tors. theta energy: -131.761
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1497.041127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.041127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.041127 (E_RNA)
where:
Base-Base interactions energy: -1003.346
where: short stacking energy: -419.791
Base-Backbone interact. energy: -0.953
local terms energy: -492.742337
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -101.284
flat angles C4'-P-C4' energy: -112.159
flat angles P-C4'-P energy: -62.882
tors. eta vs tors. theta energy: -120.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1330.702722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.702722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.702722 (E_RNA)
where:
Base-Base interactions energy: -880.786
where: short stacking energy: -409.091
Base-Backbone interact. energy: 0.235
local terms energy: -450.151955
where:
bonds (distance) C4'-P energy: -99.968
bonds (distance) P-C4' energy: -79.290
flat angles C4'-P-C4' energy: -104.069
flat angles P-C4'-P energy: -63.533
tors. eta vs tors. theta energy: -103.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1255.819747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.819747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.819747 (E_RNA)
where:
Base-Base interactions energy: -842.706
where: short stacking energy: -352.089
Base-Backbone interact. energy: -2.457
local terms energy: -410.656301
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -94.276
flat angles C4'-P-C4' energy: -86.337
flat angles P-C4'-P energy: -63.708
tors. eta vs tors. theta energy: -77.706
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: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -856.704484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.704484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.704484 (E_RNA)
where:
Base-Base interactions energy: -502.271
where: short stacking energy: -241.762
Base-Backbone interact. energy: 0.984
local terms energy: -355.417067
where:
bonds (distance) C4'-P energy: -82.036
bonds (distance) P-C4' energy: -76.358
flat angles C4'-P-C4' energy: -92.594
flat angles P-C4'-P energy: -66.017
tors. eta vs tors. theta energy: -38.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -499.685355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.685355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.685355 (E_RNA)
where:
Base-Base interactions energy: -208.622
where: short stacking energy: -149.435
Base-Backbone interact. energy: 1.296
local terms energy: -292.359764
where:
bonds (distance) C4'-P energy: -94.103
bonds (distance) P-C4' energy: -88.688
flat angles C4'-P-C4' energy: -84.234
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: 15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1905.496339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.496339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.496339 (E_RNA)
where:
Base-Base interactions energy: -1318.027
where: short stacking energy: -577.867
Base-Backbone interact. energy: -1.503
local terms energy: -585.966357
where:
bonds (distance) C4'-P energy: -112.725
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -126.197
flat angles P-C4'-P energy: -75.275
tors. eta vs tors. theta energy: -169.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1774.762657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.762657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.762657 (E_RNA)
where:
Base-Base interactions energy: -1204.151
where: short stacking energy: -552.583
Base-Backbone interact. energy: 3.743
local terms energy: -574.354990
where:
bonds (distance) C4'-P energy: -113.968
bonds (distance) P-C4' energy: -115.960
flat angles C4'-P-C4' energy: -111.369
flat angles P-C4'-P energy: -76.086
tors. eta vs tors. theta energy: -156.971
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1739.682853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.682853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.682853 (E_RNA)
where:
Base-Base interactions energy: -1182.143
where: short stacking energy: -530.779
Base-Backbone interact. energy: -2.534
local terms energy: -555.005608
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -96.087
flat angles C4'-P-C4' energy: -114.186
flat angles P-C4'-P energy: -91.826
tors. eta vs tors. theta energy: -156.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1689.105957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.105957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.105957 (E_RNA)
where:
Base-Base interactions energy: -1149.736
where: short stacking energy: -493.883
Base-Backbone interact. energy: -0.388
local terms energy: -538.981859
where:
bonds (distance) C4'-P energy: -101.070
bonds (distance) P-C4' energy: -104.680
flat angles C4'-P-C4' energy: -116.660
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -134.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1568.562850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.562850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.562850 (E_RNA)
where:
Base-Base interactions energy: -1052.585
where: short stacking energy: -460.789
Base-Backbone interact. energy: -1.177
local terms energy: -514.800375
where:
bonds (distance) C4'-P energy: -91.847
bonds (distance) P-C4' energy: -103.707
flat angles C4'-P-C4' energy: -116.854
flat angles P-C4'-P energy: -78.595
tors. eta vs tors. theta energy: -123.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1534.535700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.535700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.535700 (E_RNA)
where:
Base-Base interactions energy: -1063.466
where: short stacking energy: -463.981
Base-Backbone interact. energy: -1.048
local terms energy: -470.021568
where:
bonds (distance) C4'-P energy: -70.253
bonds (distance) P-C4' energy: -103.105
flat angles C4'-P-C4' energy: -104.916
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -131.870
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1375.820378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.820378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.820378 (E_RNA)
where:
Base-Base interactions energy: -922.162
where: short stacking energy: -400.567
Base-Backbone interact. energy: 0.031
local terms energy: -453.688843
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -106.258
flat angles P-C4'-P energy: -68.278
tors. eta vs tors. theta energy: -100.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1217.581301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.581301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.581301 (E_RNA)
where:
Base-Base interactions energy: -793.244
where: short stacking energy: -323.815
Base-Backbone interact. energy: 0.371
local terms energy: -424.708219
where:
bonds (distance) C4'-P energy: -85.945
bonds (distance) P-C4' energy: -92.591
flat angles C4'-P-C4' energy: -89.769
flat angles P-C4'-P energy: -69.052
tors. eta vs tors. theta energy: -87.352
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: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -899.652149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.652149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.652149 (E_RNA)
where:
Base-Base interactions energy: -557.314
where: short stacking energy: -268.121
Base-Backbone interact. energy: -1.015
local terms energy: -341.322870
where:
bonds (distance) C4'-P energy: -76.669
bonds (distance) P-C4' energy: -83.050
flat angles C4'-P-C4' energy: -84.582
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -459.260809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.260809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.260809 (E_RNA)
where:
Base-Base interactions energy: -195.751
where: short stacking energy: -132.740
Base-Backbone interact. energy: -2.766
local terms energy: -260.743339
where:
bonds (distance) C4'-P energy: -89.311
bonds (distance) P-C4' energy: -85.553
flat angles C4'-P-C4' energy: -41.773
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -1.576
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1924.251610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.251610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.251610 (E_RNA)
where:
Base-Base interactions energy: -1317.113
where: short stacking energy: -584.430
Base-Backbone interact. energy: -2.751
local terms energy: -604.387764
where:
bonds (distance) C4'-P energy: -113.656
bonds (distance) P-C4' energy: -109.096
flat angles C4'-P-C4' energy: -125.585
flat angles P-C4'-P energy: -73.580
tors. eta vs tors. theta energy: -182.471
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1768.112885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.112885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.112885 (E_RNA)
where:
Base-Base interactions energy: -1192.882
where: short stacking energy: -538.992
Base-Backbone interact. energy: -1.338
local terms energy: -573.892535
where:
bonds (distance) C4'-P energy: -108.061
bonds (distance) P-C4' energy: -100.783
flat angles C4'-P-C4' energy: -119.580
flat angles P-C4'-P energy: -88.333
tors. eta vs tors. theta energy: -157.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1730.156339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.156339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.156339 (E_RNA)
where:
Base-Base interactions energy: -1158.914
where: short stacking energy: -491.349
Base-Backbone interact. energy: -1.651
local terms energy: -569.591898
where:
bonds (distance) C4'-P energy: -112.961
bonds (distance) P-C4' energy: -124.710
flat angles C4'-P-C4' energy: -107.662
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -144.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1693.433502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.433502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.433502 (E_RNA)
where:
Base-Base interactions energy: -1156.092
where: short stacking energy: -515.636
Base-Backbone interact. energy: -0.515
local terms energy: -536.827198
where:
bonds (distance) C4'-P energy: -95.018
bonds (distance) P-C4' energy: -95.334
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -145.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1585.200303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.200303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.200303 (E_RNA)
where:
Base-Base interactions energy: -1076.792
where: short stacking energy: -488.428
Base-Backbone interact. energy: -1.072
local terms energy: -507.336073
where:
bonds (distance) C4'-P energy: -101.356
bonds (distance) P-C4' energy: -106.788
flat angles C4'-P-C4' energy: -89.174
flat angles P-C4'-P energy: -68.904
tors. eta vs tors. theta energy: -141.115
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: 163
Temperature: 1.150000
Total energy: -1463.995258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.995258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.995258 (E_RNA)
where:
Base-Base interactions energy: -973.176
where: short stacking energy: -446.773
Base-Backbone interact. energy: -2.100
local terms energy: -488.719078
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -102.101
flat angles C4'-P-C4' energy: -103.169
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -123.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1380.400883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.400883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.400883 (E_RNA)
where:
Base-Base interactions energy: -906.698
where: short stacking energy: -384.635
Base-Backbone interact. energy: -0.525
local terms energy: -473.177865
where:
bonds (distance) C4'-P energy: -97.852
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -102.126
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: -100.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1236.483787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.483787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.483787 (E_RNA)
where:
Base-Base interactions energy: -821.928
where: short stacking energy: -354.883
Base-Backbone interact. energy: -0.334
local terms energy: -414.221481
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -95.347
flat angles C4'-P-C4' energy: -76.789
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -89.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -872.700101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.700101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.700101 (E_RNA)
where:
Base-Base interactions energy: -531.703
where: short stacking energy: -247.287
Base-Backbone interact. energy: 4.215
local terms energy: -345.212002
where:
bonds (distance) C4'-P energy: -89.456
bonds (distance) P-C4' energy: -90.583
flat angles C4'-P-C4' energy: -79.172
flat angles P-C4'-P energy: -52.936
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -500.600107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.600107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.600107 (E_RNA)
where:
Base-Base interactions energy: -211.359
where: short stacking energy: -148.853
Base-Backbone interact. energy: 1.354
local terms energy: -290.594929
where:
bonds (distance) C4'-P energy: -96.281
bonds (distance) P-C4' energy: -92.641
flat angles C4'-P-C4' energy: -75.210
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -1.996
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1930.443696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.443696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.443696 (E_RNA)
where:
Base-Base interactions energy: -1320.473
where: short stacking energy: -572.028
Base-Backbone interact. energy: -1.769
local terms energy: -608.201827
where:
bonds (distance) C4'-P energy: -111.035
bonds (distance) P-C4' energy: -110.146
flat angles C4'-P-C4' energy: -123.718
flat angles P-C4'-P energy: -89.634
tors. eta vs tors. theta energy: -173.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1759.059110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.059110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.059110 (E_RNA)
where:
Base-Base interactions energy: -1183.574
where: short stacking energy: -523.263
Base-Backbone interact. energy: -2.929
local terms energy: -572.555816
where:
bonds (distance) C4'-P energy: -104.333
bonds (distance) P-C4' energy: -105.016
flat angles C4'-P-C4' energy: -124.736
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -154.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1767.499126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.499126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.499126 (E_RNA)
where:
Base-Base interactions energy: -1187.627
where: short stacking energy: -518.189
Base-Backbone interact. energy: -0.985
local terms energy: -578.887727
where:
bonds (distance) C4'-P energy: -110.934
bonds (distance) P-C4' energy: -106.495
flat angles C4'-P-C4' energy: -123.458
flat angles P-C4'-P energy: -82.933
tors. eta vs tors. theta energy: -155.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1712.064235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.064235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.064235 (E_RNA)
where:
Base-Base interactions energy: -1182.163
where: short stacking energy: -519.462
Base-Backbone interact. energy: 2.193
local terms energy: -532.094981
where:
bonds (distance) C4'-P energy: -84.626
bonds (distance) P-C4' energy: -100.180
flat angles C4'-P-C4' energy: -117.474
flat angles P-C4'-P energy: -74.624
tors. eta vs tors. theta energy: -155.190
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: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1610.383183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.383183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.383183 (E_RNA)
where:
Base-Base interactions energy: -1086.813
where: short stacking energy: -493.886
Base-Backbone interact. energy: -1.765
local terms energy: -521.804748
where:
bonds (distance) C4'-P energy: -96.164
bonds (distance) P-C4' energy: -96.373
flat angles C4'-P-C4' energy: -115.311
flat angles P-C4'-P energy: -72.626
tors. eta vs tors. theta energy: -141.330
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: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1547.720448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.720448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.720448 (E_RNA)
where:
Base-Base interactions energy: -1046.675
where: short stacking energy: -458.463
Base-Backbone interact. energy: -2.484
local terms energy: -498.562031
where:
bonds (distance) C4'-P energy: -98.393
bonds (distance) P-C4' energy: -88.950
flat angles C4'-P-C4' energy: -106.030
flat angles P-C4'-P energy: -65.556
tors. eta vs tors. theta energy: -139.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1444.578277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.578277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.578277 (E_RNA)
where:
Base-Base interactions energy: -965.208
where: short stacking energy: -406.396
Base-Backbone interact. energy: -0.438
local terms energy: -478.931857
where:
bonds (distance) C4'-P energy: -77.935
bonds (distance) P-C4' energy: -97.727
flat angles C4'-P-C4' energy: -115.026
flat angles P-C4'-P energy: -75.291
tors. eta vs tors. theta energy: -112.953
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: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1256.896389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.896389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.896389 (E_RNA)
where:
Base-Base interactions energy: -827.682
where: short stacking energy: -370.942
Base-Backbone interact. energy: 1.669
local terms energy: -430.883663
where:
bonds (distance) C4'-P energy: -92.058
bonds (distance) P-C4' energy: -100.511
flat angles C4'-P-C4' energy: -87.914
flat angles P-C4'-P energy: -58.320
tors. eta vs tors. theta energy: -92.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -878.264110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.264110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.264110 (E_RNA)
where:
Base-Base interactions energy: -524.247
where: short stacking energy: -249.227
Base-Backbone interact. energy: 4.947
local terms energy: -358.963947
where:
bonds (distance) C4'-P energy: -78.712
bonds (distance) P-C4' energy: -80.248
flat angles C4'-P-C4' energy: -101.836
flat angles P-C4'-P energy: -53.045
tors. eta vs tors. theta energy: -45.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -444.453393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.453393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.453393 (E_RNA)
where:
Base-Base interactions energy: -177.630
where: short stacking energy: -141.150
Base-Backbone interact. energy: 4.685
local terms energy: -271.507745
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -78.254
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: 9.118
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: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1895.008226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.008226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.008226 (E_RNA)
where:
Base-Base interactions energy: -1309.148
where: short stacking energy: -558.116
Base-Backbone interact. energy: -2.228
local terms energy: -583.632541
where:
bonds (distance) C4'-P energy: -109.142
bonds (distance) P-C4' energy: -107.348
flat angles C4'-P-C4' energy: -128.809
flat angles P-C4'-P energy: -75.057
tors. eta vs tors. theta energy: -163.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1803.222326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.222326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.222326 (E_RNA)
where:
Base-Base interactions energy: -1204.076
where: short stacking energy: -549.932
Base-Backbone interact. energy: -1.437
local terms energy: -597.709866
where:
bonds (distance) C4'-P energy: -106.032
bonds (distance) P-C4' energy: -114.334
flat angles C4'-P-C4' energy: -119.629
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -166.387
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: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1714.682134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.682134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.682134 (E_RNA)
where:
Base-Base interactions energy: -1177.600
where: short stacking energy: -519.711
Base-Backbone interact. energy: 0.307
local terms energy: -537.388713
where:
bonds (distance) C4'-P energy: -101.713
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -109.568
flat angles P-C4'-P energy: -83.859
tors. eta vs tors. theta energy: -156.981
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1711.205079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.205079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.205079 (E_RNA)
where:
Base-Base interactions energy: -1131.978
where: short stacking energy: -510.986
Base-Backbone interact. energy: -0.088
local terms energy: -579.138849
where:
bonds (distance) C4'-P energy: -107.608
bonds (distance) P-C4' energy: -121.691
flat angles C4'-P-C4' energy: -129.758
flat angles P-C4'-P energy: -66.180
tors. eta vs tors. theta energy: -153.901
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: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1580.204516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.204516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.204516 (E_RNA)
where:
Base-Base interactions energy: -1066.762
where: short stacking energy: -473.661
Base-Backbone interact. energy: 1.633
local terms energy: -515.075742
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -111.987
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -128.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1507.195316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.195316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.195316 (E_RNA)
where:
Base-Base interactions energy: -990.441
where: short stacking energy: -436.562
Base-Backbone interact. energy: -0.640
local terms energy: -516.114413
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -106.522
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -79.114
tors. eta vs tors. theta energy: -124.496
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1392.042056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.042056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.042056 (E_RNA)
where:
Base-Base interactions energy: -942.318
where: short stacking energy: -405.270
Base-Backbone interact. energy: -0.561
local terms energy: -449.162783
where:
bonds (distance) C4'-P energy: -91.260
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -96.713
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -100.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1230.008709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.008709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.008709 (E_RNA)
where:
Base-Base interactions energy: -812.562
where: short stacking energy: -349.050
Base-Backbone interact. energy: 0.068
local terms energy: -417.514507
where:
bonds (distance) C4'-P energy: -87.078
bonds (distance) P-C4' energy: -86.795
flat angles C4'-P-C4' energy: -84.197
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -86.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -821.856254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.856254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.856254 (E_RNA)
where:
Base-Base interactions energy: -476.509
where: short stacking energy: -228.966
Base-Backbone interact. energy: -2.530
local terms energy: -342.816747
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -104.853
flat angles C4'-P-C4' energy: -83.453
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -421.437847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.437847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.437847 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -116.334
Base-Backbone interact. energy: -0.042
local terms energy: -278.498455
where:
bonds (distance) C4'-P energy: -78.603
bonds (distance) P-C4' energy: -89.873
flat angles C4'-P-C4' energy: -86.488
flat angles P-C4'-P energy: -40.856
tors. eta vs tors. theta energy: 17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1887.792104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.792104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.792104 (E_RNA)
where:
Base-Base interactions energy: -1285.195
where: short stacking energy: -562.163
Base-Backbone interact. energy: -4.025
local terms energy: -598.571967
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -103.156
flat angles C4'-P-C4' energy: -120.005
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -178.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1788.751709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.751709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.751709 (E_RNA)
where:
Base-Base interactions energy: -1213.568
where: short stacking energy: -537.295
Base-Backbone interact. energy: -3.316
local terms energy: -571.867713
where:
bonds (distance) C4'-P energy: -112.615
bonds (distance) P-C4' energy: -108.624
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -73.431
tors. eta vs tors. theta energy: -162.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1728.329740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.329740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.329740 (E_RNA)
where:
Base-Base interactions energy: -1167.485
where: short stacking energy: -520.267
Base-Backbone interact. energy: -2.031
local terms energy: -558.813256
where:
bonds (distance) C4'-P energy: -102.314
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -117.456
flat angles P-C4'-P energy: -89.423
tors. eta vs tors. theta energy: -154.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1711.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.304453 (E_RNA)
where:
Base-Base interactions energy: -1164.839
where: short stacking energy: -493.810
Base-Backbone interact. energy: -1.585
local terms energy: -544.880582
where:
bonds (distance) C4'-P energy: -109.299
bonds (distance) P-C4' energy: -97.431
flat angles C4'-P-C4' energy: -120.952
flat angles P-C4'-P energy: -74.289
tors. eta vs tors. theta energy: -142.909
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: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1608.299781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.299781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.299781 (E_RNA)
where:
Base-Base interactions energy: -1091.443
where: short stacking energy: -500.471
Base-Backbone interact. energy: -1.051
local terms energy: -515.805810
where:
bonds (distance) C4'-P energy: -92.436
bonds (distance) P-C4' energy: -78.747
flat angles C4'-P-C4' energy: -118.294
flat angles P-C4'-P energy: -80.750
tors. eta vs tors. theta energy: -145.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1534.925756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.925756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.925756 (E_RNA)
where:
Base-Base interactions energy: -1063.477
where: short stacking energy: -438.229
Base-Backbone interact. energy: -0.211
local terms energy: -471.237369
where:
bonds (distance) C4'-P energy: -104.595
bonds (distance) P-C4' energy: -85.398
flat angles C4'-P-C4' energy: -110.122
flat angles P-C4'-P energy: -58.896
tors. eta vs tors. theta energy: -112.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1416.864066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.864066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.864066 (E_RNA)
where:
Base-Base interactions energy: -954.297
where: short stacking energy: -410.923
Base-Backbone interact. energy: 2.429
local terms energy: -464.995457
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -103.412
flat angles P-C4'-P energy: -65.329
tors. eta vs tors. theta energy: -108.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1218.657654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.657654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.657654 (E_RNA)
where:
Base-Base interactions energy: -810.748
where: short stacking energy: -343.311
Base-Backbone interact. energy: -1.189
local terms energy: -406.720691
where:
bonds (distance) C4'-P energy: -83.707
bonds (distance) P-C4' energy: -93.849
flat angles C4'-P-C4' energy: -93.346
flat angles P-C4'-P energy: -45.776
tors. eta vs tors. theta energy: -90.042
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: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -809.374861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.374861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.374861 (E_RNA)
where:
Base-Base interactions energy: -470.858
where: short stacking energy: -214.930
Base-Backbone interact. energy: 3.222
local terms energy: -341.737894
where:
bonds (distance) C4'-P energy: -87.146
bonds (distance) P-C4' energy: -88.880
flat angles C4'-P-C4' energy: -98.827
flat angles P-C4'-P energy: -52.132
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -448.051786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.051786 (E_RNA)
where:
Base-Base interactions energy: -165.043
where: short stacking energy: -134.421
Base-Backbone interact. energy: 2.406
local terms energy: -285.415300
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -80.252
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1929.232154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.232154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.232154 (E_RNA)
where:
Base-Base interactions energy: -1319.735
where: short stacking energy: -564.509
Base-Backbone interact. energy: -2.564
local terms energy: -606.932657
where:
bonds (distance) C4'-P energy: -119.056
bonds (distance) P-C4' energy: -106.158
flat angles C4'-P-C4' energy: -126.612
flat angles P-C4'-P energy: -84.566
tors. eta vs tors. theta energy: -170.541
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: 167
Temperature: 0.950000
Total energy: -1784.743687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.743687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.743687 (E_RNA)
where:
Base-Base interactions energy: -1233.104
where: short stacking energy: -509.127
Base-Backbone interact. energy: -2.871
local terms energy: -548.769005
where:
bonds (distance) C4'-P energy: -97.542
bonds (distance) P-C4' energy: -106.138
flat angles C4'-P-C4' energy: -111.549
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -151.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1730.049235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.049235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.049235 (E_RNA)
where:
Base-Base interactions energy: -1165.684
where: short stacking energy: -533.321
Base-Backbone interact. energy: -2.857
local terms energy: -561.507751
where:
bonds (distance) C4'-P energy: -104.657
bonds (distance) P-C4' energy: -103.924
flat angles C4'-P-C4' energy: -126.381
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -151.778
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: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1691.775175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.775175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.775175 (E_RNA)
where:
Base-Base interactions energy: -1148.470
where: short stacking energy: -510.385
Base-Backbone interact. energy: -2.000
local terms energy: -541.305715
where:
bonds (distance) C4'-P energy: -95.218
bonds (distance) P-C4' energy: -105.865
flat angles C4'-P-C4' energy: -116.659
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -147.076
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1589.176609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.176609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.176609 (E_RNA)
where:
Base-Base interactions energy: -1079.600
where: short stacking energy: -489.298
Base-Backbone interact. energy: -0.617
local terms energy: -508.959565
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -105.579
flat angles P-C4'-P energy: -74.503
tors. eta vs tors. theta energy: -127.181
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: 167
Temperature: 1.150000
Total energy: -1536.486810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.486810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.486810 (E_RNA)
where:
Base-Base interactions energy: -1048.333
where: short stacking energy: -460.561
Base-Backbone interact. energy: -1.248
local terms energy: -486.905914
where:
bonds (distance) C4'-P energy: -91.293
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -106.278
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -122.740
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1457.949384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.949384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.949384 (E_RNA)
where:
Base-Base interactions energy: -956.975
where: short stacking energy: -422.738
Base-Backbone interact. energy: -1.998
local terms energy: -498.976657
where:
bonds (distance) C4'-P energy: -107.611
bonds (distance) P-C4' energy: -96.554
flat angles C4'-P-C4' energy: -100.174
flat angles P-C4'-P energy: -77.804
tors. eta vs tors. theta energy: -116.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1227.540888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.540888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.540888 (E_RNA)
where:
Base-Base interactions energy: -824.257
where: short stacking energy: -369.562
Base-Backbone interact. energy: 6.087
local terms energy: -409.370044
where:
bonds (distance) C4'-P energy: -87.637
bonds (distance) P-C4' energy: -82.227
flat angles C4'-P-C4' energy: -94.508
flat angles P-C4'-P energy: -66.337
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -861.465461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.465461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.465461 (E_RNA)
where:
Base-Base interactions energy: -519.219
where: short stacking energy: -253.628
Base-Backbone interact. energy: 2.960
local terms energy: -345.206007
where:
bonds (distance) C4'-P energy: -82.693
bonds (distance) P-C4' energy: -99.264
flat angles C4'-P-C4' energy: -90.159
flat angles P-C4'-P energy: -50.311
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -440.987516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.987516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.987516 (E_RNA)
where:
Base-Base interactions energy: -168.554
where: short stacking energy: -111.957
Base-Backbone interact. energy: 1.119
local terms energy: -273.552557
where:
bonds (distance) C4'-P energy: -88.801
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -52.358
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: 8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1925.072924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.072924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.072924 (E_RNA)
where:
Base-Base interactions energy: -1343.369
where: short stacking energy: -563.426
Base-Backbone interact. energy: -1.942
local terms energy: -579.761668
where:
bonds (distance) C4'-P energy: -103.779
bonds (distance) P-C4' energy: -113.554
flat angles C4'-P-C4' energy: -114.891
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -173.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1768.401284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.401284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.401284 (E_RNA)
where:
Base-Base interactions energy: -1210.794
where: short stacking energy: -513.575
Base-Backbone interact. energy: -1.242
local terms energy: -556.366057
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -101.551
flat angles C4'-P-C4' energy: -115.526
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: -146.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1747.498156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.498156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.498156 (E_RNA)
where:
Base-Base interactions energy: -1177.988
where: short stacking energy: -543.420
Base-Backbone interact. energy: -1.726
local terms energy: -567.783998
where:
bonds (distance) C4'-P energy: -97.128
bonds (distance) P-C4' energy: -102.861
flat angles C4'-P-C4' energy: -120.070
flat angles P-C4'-P energy: -89.542
tors. eta vs tors. theta energy: -158.183
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: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1682.027208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.027208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.027208 (E_RNA)
where:
Base-Base interactions energy: -1132.728
where: short stacking energy: -516.575
Base-Backbone interact. energy: -2.550
local terms energy: -546.749656
where:
bonds (distance) C4'-P energy: -108.875
bonds (distance) P-C4' energy: -101.655
flat angles C4'-P-C4' energy: -103.610
flat angles P-C4'-P energy: -75.071
tors. eta vs tors. theta energy: -157.539
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1566.536179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.536179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.536179 (E_RNA)
where:
Base-Base interactions energy: -1056.337
where: short stacking energy: -484.672
Base-Backbone interact. energy: 0.598
local terms energy: -510.797170
where:
bonds (distance) C4'-P energy: -87.142
bonds (distance) P-C4' energy: -83.007
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -86.981
tors. eta vs tors. theta energy: -139.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1562.341485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.341485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.341485 (E_RNA)
where:
Base-Base interactions energy: -1069.558
where: short stacking energy: -481.382
Base-Backbone interact. energy: 4.996
local terms energy: -497.779704
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -93.761
flat angles C4'-P-C4' energy: -114.838
flat angles P-C4'-P energy: -66.102
tors. eta vs tors. theta energy: -143.321
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1411.701013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.701013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.701013 (E_RNA)
where:
Base-Base interactions energy: -935.445
where: short stacking energy: -407.448
Base-Backbone interact. energy: -0.835
local terms energy: -475.421077
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -98.582
flat angles C4'-P-C4' energy: -93.550
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -121.815
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: 168
Temperature: 1.250000
Total energy: -1256.797320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.797320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.797320 (E_RNA)
where:
Base-Base interactions energy: -840.176
where: short stacking energy: -356.933
Base-Backbone interact. energy: -1.385
local terms energy: -415.235850
where:
bonds (distance) C4'-P energy: -92.422
bonds (distance) P-C4' energy: -89.944
flat angles C4'-P-C4' energy: -92.518
flat angles P-C4'-P energy: -57.971
tors. eta vs tors. theta energy: -82.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -882.332353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.332353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.332353 (E_RNA)
where:
Base-Base interactions energy: -520.651
where: short stacking energy: -244.655
Base-Backbone interact. energy: 0.884
local terms energy: -362.565739
where:
bonds (distance) C4'-P energy: -92.040
bonds (distance) P-C4' energy: -90.276
flat angles C4'-P-C4' energy: -86.852
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -36.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -456.855623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.855623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.855623 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -133.475
Base-Backbone interact. energy: -3.360
local terms energy: -271.403802
where:
bonds (distance) C4'-P energy: -76.802
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -75.076
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: 16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1929.770991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.770991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.770991 (E_RNA)
where:
Base-Base interactions energy: -1325.643
where: short stacking energy: -571.225
Base-Backbone interact. energy: -0.482
local terms energy: -603.646157
where:
bonds (distance) C4'-P energy: -110.298
bonds (distance) P-C4' energy: -108.372
flat angles C4'-P-C4' energy: -118.447
flat angles P-C4'-P energy: -85.281
tors. eta vs tors. theta energy: -181.248
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1783.690881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.690881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.690881 (E_RNA)
where:
Base-Base interactions energy: -1198.469
where: short stacking energy: -535.258
Base-Backbone interact. energy: -2.235
local terms energy: -582.986686
where:
bonds (distance) C4'-P energy: -111.747
bonds (distance) P-C4' energy: -105.720
flat angles C4'-P-C4' energy: -118.465
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -157.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1750.525522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.525522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.525522 (E_RNA)
where:
Base-Base interactions energy: -1203.121
where: short stacking energy: -523.307
Base-Backbone interact. energy: -2.165
local terms energy: -545.239152
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -96.309
flat angles C4'-P-C4' energy: -115.547
flat angles P-C4'-P energy: -80.712
tors. eta vs tors. theta energy: -151.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1686.745743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.745743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.745743 (E_RNA)
where:
Base-Base interactions energy: -1146.697
where: short stacking energy: -528.404
Base-Backbone interact. energy: -2.675
local terms energy: -537.373760
where:
bonds (distance) C4'-P energy: -103.852
bonds (distance) P-C4' energy: -84.527
flat angles C4'-P-C4' energy: -124.210
flat angles P-C4'-P energy: -76.161
tors. eta vs tors. theta energy: -148.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1571.650088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.650088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.650088 (E_RNA)
where:
Base-Base interactions energy: -1051.092
where: short stacking energy: -449.004
Base-Backbone interact. energy: -1.721
local terms energy: -518.836709
where:
bonds (distance) C4'-P energy: -98.978
bonds (distance) P-C4' energy: -108.282
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -80.388
tors. eta vs tors. theta energy: -120.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1552.618746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.618746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.618746 (E_RNA)
where:
Base-Base interactions energy: -1058.031
where: short stacking energy: -463.352
Base-Backbone interact. energy: -0.940
local terms energy: -493.647279
where:
bonds (distance) C4'-P energy: -104.896
bonds (distance) P-C4' energy: -80.885
flat angles C4'-P-C4' energy: -108.123
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1401.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.453191 (E_RNA)
where:
Base-Base interactions energy: -970.185
where: short stacking energy: -417.006
Base-Backbone interact. energy: -0.374
local terms energy: -430.894119
where:
bonds (distance) C4'-P energy: -79.492
bonds (distance) P-C4' energy: -83.830
flat angles C4'-P-C4' energy: -86.325
flat angles P-C4'-P energy: -66.052
tors. eta vs tors. theta energy: -115.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1274.120221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.120221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.120221 (E_RNA)
where:
Base-Base interactions energy: -858.789
where: short stacking energy: -369.204
Base-Backbone interact. energy: 3.639
local terms energy: -418.969726
where:
bonds (distance) C4'-P energy: -69.093
bonds (distance) P-C4' energy: -90.597
flat angles C4'-P-C4' energy: -100.581
flat angles P-C4'-P energy: -60.129
tors. eta vs tors. theta energy: -98.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -880.206195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.206195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.206195 (E_RNA)
where:
Base-Base interactions energy: -529.418
where: short stacking energy: -264.623
Base-Backbone interact. energy: 5.386
local terms energy: -356.173774
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -100.525
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -58.720
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -420.777086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.777086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.777086 (E_RNA)
where:
Base-Base interactions energy: -132.830
where: short stacking energy: -114.497
Base-Backbone interact. energy: 2.547
local terms energy: -290.494194
where:
bonds (distance) C4'-P energy: -100.638
bonds (distance) P-C4' energy: -108.111
flat angles C4'-P-C4' energy: -78.249
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: 37.827
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: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1907.078565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.078565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.078565 (E_RNA)
where:
Base-Base interactions energy: -1303.834
where: short stacking energy: -558.696
Base-Backbone interact. energy: -1.789
local terms energy: -601.456134
where:
bonds (distance) C4'-P energy: -109.081
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -93.402
tors. eta vs tors. theta energy: -172.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1779.626672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.626672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.626672 (E_RNA)
where:
Base-Base interactions energy: -1212.318
where: short stacking energy: -547.869
Base-Backbone interact. energy: 0.274
local terms energy: -567.583097
where:
bonds (distance) C4'-P energy: -106.283
bonds (distance) P-C4' energy: -113.080
flat angles C4'-P-C4' energy: -117.120
flat angles P-C4'-P energy: -74.835
tors. eta vs tors. theta energy: -156.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1726.110693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.110693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.110693 (E_RNA)
where:
Base-Base interactions energy: -1187.417
where: short stacking energy: -534.449
Base-Backbone interact. energy: -1.723
local terms energy: -536.970683
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -98.728
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -75.996
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: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1681.973983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.973983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.973983 (E_RNA)
where:
Base-Base interactions energy: -1143.286
where: short stacking energy: -497.659
Base-Backbone interact. energy: -2.469
local terms energy: -536.219008
where:
bonds (distance) C4'-P energy: -81.520
bonds (distance) P-C4' energy: -103.320
flat angles C4'-P-C4' energy: -117.647
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -160.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1589.807709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.807709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.807709 (E_RNA)
where:
Base-Base interactions energy: -1087.334
where: short stacking energy: -469.065
Base-Backbone interact. energy: -0.363
local terms energy: -502.110603
where:
bonds (distance) C4'-P energy: -87.294
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -110.877
flat angles P-C4'-P energy: -72.844
tors. eta vs tors. theta energy: -139.418
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: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1569.696651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.696651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.696651 (E_RNA)
where:
Base-Base interactions energy: -1065.358
where: short stacking energy: -460.508
Base-Backbone interact. energy: 4.482
local terms energy: -508.820829
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -91.007
flat angles C4'-P-C4' energy: -112.782
flat angles P-C4'-P energy: -76.195
tors. eta vs tors. theta energy: -130.722
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: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1415.636546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.636546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.636546 (E_RNA)
where:
Base-Base interactions energy: -951.352
where: short stacking energy: -389.793
Base-Backbone interact. energy: -0.159
local terms energy: -464.125298
where:
bonds (distance) C4'-P energy: -83.978
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -91.531
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -110.545
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: 170
Temperature: 1.250000
Total energy: -1271.199838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.199838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.199838 (E_RNA)
where:
Base-Base interactions energy: -879.218
where: short stacking energy: -380.140
Base-Backbone interact. energy: 5.626
local terms energy: -397.607934
where:
bonds (distance) C4'-P energy: -79.794
bonds (distance) P-C4' energy: -76.365
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -60.999
tors. eta vs tors. theta energy: -95.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -904.662658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.662658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.662658 (E_RNA)
where:
Base-Base interactions energy: -538.623
where: short stacking energy: -267.774
Base-Backbone interact. energy: -3.238
local terms energy: -362.801647
where:
bonds (distance) C4'-P energy: -79.989
bonds (distance) P-C4' energy: -85.797
flat angles C4'-P-C4' energy: -97.461
flat angles P-C4'-P energy: -46.442
tors. eta vs tors. theta energy: -53.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -442.798178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.798178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.798178 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -104.844
Base-Backbone interact. energy: -5.068
local terms energy: -288.902392
where:
bonds (distance) C4'-P energy: -92.233
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -52.359
tors. eta vs tors. theta energy: 28.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1920.819851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.819851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.819851 (E_RNA)
where:
Base-Base interactions energy: -1320.340
where: short stacking energy: -577.887
Base-Backbone interact. energy: -1.515
local terms energy: -598.964087
where:
bonds (distance) C4'-P energy: -112.069
bonds (distance) P-C4' energy: -100.248
flat angles C4'-P-C4' energy: -119.556
flat angles P-C4'-P energy: -96.903
tors. eta vs tors. theta energy: -170.188
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1765.573812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.573812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.573812 (E_RNA)
where:
Base-Base interactions energy: -1202.897
where: short stacking energy: -512.931
Base-Backbone interact. energy: 0.705
local terms energy: -563.381718
where:
bonds (distance) C4'-P energy: -111.669
bonds (distance) P-C4' energy: -105.499
flat angles C4'-P-C4' energy: -117.169
flat angles P-C4'-P energy: -71.590
tors. eta vs tors. theta energy: -157.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1743.819655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.819655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.819655 (E_RNA)
where:
Base-Base interactions energy: -1184.541
where: short stacking energy: -513.519
Base-Backbone interact. energy: -0.171
local terms energy: -559.106828
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -109.559
flat angles C4'-P-C4' energy: -108.991
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -160.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1653.839278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.839278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.839278 (E_RNA)
where:
Base-Base interactions energy: -1129.968
where: short stacking energy: -494.538
Base-Backbone interact. energy: -1.121
local terms energy: -522.749471
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -103.358
flat angles C4'-P-C4' energy: -118.071
flat angles P-C4'-P energy: -77.228
tors. eta vs tors. theta energy: -131.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1640.297235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.297235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.297235 (E_RNA)
where:
Base-Base interactions energy: -1117.237
where: short stacking energy: -481.286
Base-Backbone interact. energy: -5.220
local terms energy: -517.839997
where:
bonds (distance) C4'-P energy: -99.419
bonds (distance) P-C4' energy: -103.722
flat angles C4'-P-C4' energy: -106.500
flat angles P-C4'-P energy: -69.719
tors. eta vs tors. theta energy: -138.479
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: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1555.951615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.951615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.951615 (E_RNA)
where:
Base-Base interactions energy: -1034.650
where: short stacking energy: -441.535
Base-Backbone interact. energy: -0.470
local terms energy: -520.832130
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -115.383
flat angles C4'-P-C4' energy: -118.286
flat angles P-C4'-P energy: -61.088
tors. eta vs tors. theta energy: -137.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1400.459005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.459005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.459005 (E_RNA)
where:
Base-Base interactions energy: -952.134
where: short stacking energy: -410.523
Base-Backbone interact. energy: -0.606
local terms energy: -447.718430
where:
bonds (distance) C4'-P energy: -95.293
bonds (distance) P-C4' energy: -96.386
flat angles C4'-P-C4' energy: -93.402
flat angles P-C4'-P energy: -62.812
tors. eta vs tors. theta energy: -99.825
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: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1247.228289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.228289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.228289 (E_RNA)
where:
Base-Base interactions energy: -835.403
where: short stacking energy: -362.702
Base-Backbone interact. energy: -0.049
local terms energy: -411.776850
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -85.498
flat angles C4'-P-C4' energy: -98.891
flat angles P-C4'-P energy: -67.400
tors. eta vs tors. theta energy: -78.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -943.651478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.651478 (E_RNA)
where:
Base-Base interactions energy: -565.155
where: short stacking energy: -261.340
Base-Backbone interact. energy: 2.662
local terms energy: -381.158711
where:
bonds (distance) C4'-P energy: -94.097
bonds (distance) P-C4' energy: -106.504
flat angles C4'-P-C4' energy: -93.071
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -485.536548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.536548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.536548 (E_RNA)
where:
Base-Base interactions energy: -228.387
where: short stacking energy: -146.118
Base-Backbone interact. energy: -1.821
local terms energy: -255.329197
where:
bonds (distance) C4'-P energy: -54.792
bonds (distance) P-C4' energy: -92.261
flat angles C4'-P-C4' energy: -71.846
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: 15.904
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: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1903.118881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.118881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.118881 (E_RNA)
where:
Base-Base interactions energy: -1310.656
where: short stacking energy: -571.606
Base-Backbone interact. energy: -1.875
local terms energy: -590.587572
where:
bonds (distance) C4'-P energy: -119.512
bonds (distance) P-C4' energy: -96.538
flat angles C4'-P-C4' energy: -117.152
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -168.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1801.854092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.854092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.854092 (E_RNA)
where:
Base-Base interactions energy: -1219.248
where: short stacking energy: -574.608
Base-Backbone interact. energy: 2.047
local terms energy: -584.653203
where:
bonds (distance) C4'-P energy: -105.784
bonds (distance) P-C4' energy: -100.331
flat angles C4'-P-C4' energy: -125.105
flat angles P-C4'-P energy: -88.234
tors. eta vs tors. theta energy: -165.199
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1763.613674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.613674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.613674 (E_RNA)
where:
Base-Base interactions energy: -1211.234
where: short stacking energy: -536.701
Base-Backbone interact. energy: 0.375
local terms energy: -552.754761
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -94.393
flat angles C4'-P-C4' energy: -106.926
flat angles P-C4'-P energy: -80.607
tors. eta vs tors. theta energy: -159.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1605.816395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.816395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.816395 (E_RNA)
where:
Base-Base interactions energy: -1081.380
where: short stacking energy: -472.063
Base-Backbone interact. energy: -0.575
local terms energy: -523.861850
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -99.353
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -74.739
tors. eta vs tors. theta energy: -132.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1615.336522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.336522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.336522 (E_RNA)
where:
Base-Base interactions energy: -1093.520
where: short stacking energy: -487.038
Base-Backbone interact. energy: -0.738
local terms energy: -521.078386
where:
bonds (distance) C4'-P energy: -91.446
bonds (distance) P-C4' energy: -101.373
flat angles C4'-P-C4' energy: -110.904
flat angles P-C4'-P energy: -77.007
tors. eta vs tors. theta energy: -140.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1535.325577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.325577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.325577 (E_RNA)
where:
Base-Base interactions energy: -1060.332
where: short stacking energy: -451.644
Base-Backbone interact. energy: -1.031
local terms energy: -473.962333
where:
bonds (distance) C4'-P energy: -79.211
bonds (distance) P-C4' energy: -93.785
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -53.473
tors. eta vs tors. theta energy: -136.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1401.816175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.816175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.816175 (E_RNA)
where:
Base-Base interactions energy: -947.826
where: short stacking energy: -429.857
Base-Backbone interact. energy: 1.589
local terms energy: -455.579269
where:
bonds (distance) C4'-P energy: -91.459
bonds (distance) P-C4' energy: -98.175
flat angles C4'-P-C4' energy: -88.569
flat angles P-C4'-P energy: -63.410
tors. eta vs tors. theta energy: -113.965
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: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1272.608504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.608504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.608504 (E_RNA)
where:
Base-Base interactions energy: -849.142
where: short stacking energy: -359.119
Base-Backbone interact. energy: 0.169
local terms energy: -423.635775
where:
bonds (distance) C4'-P energy: -82.041
bonds (distance) P-C4' energy: -88.045
flat angles C4'-P-C4' energy: -105.241
flat angles P-C4'-P energy: -57.274
tors. eta vs tors. theta energy: -91.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -899.730803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.730803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.730803 (E_RNA)
where:
Base-Base interactions energy: -516.270
where: short stacking energy: -238.011
Base-Backbone interact. energy: -1.188
local terms energy: -382.272671
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -94.041
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: -42.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -450.551306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.551306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.551306 (E_RNA)
where:
Base-Base interactions energy: -165.340
where: short stacking energy: -135.699
Base-Backbone interact. energy: -0.251
local terms energy: -284.959970
where:
bonds (distance) C4'-P energy: -88.035
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -82.591
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: 16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1934.886831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.886831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.886831 (E_RNA)
where:
Base-Base interactions energy: -1337.618
where: short stacking energy: -581.414
Base-Backbone interact. energy: -1.323
local terms energy: -595.946199
where:
bonds (distance) C4'-P energy: -102.107
bonds (distance) P-C4' energy: -110.035
flat angles C4'-P-C4' energy: -115.191
flat angles P-C4'-P energy: -83.466
tors. eta vs tors. theta energy: -185.147
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: 173
Temperature: 0.950000
Total energy: -1814.067268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.067268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.067268 (E_RNA)
where:
Base-Base interactions energy: -1224.872
where: short stacking energy: -523.545
Base-Backbone interact. energy: -1.247
local terms energy: -587.947615
where:
bonds (distance) C4'-P energy: -112.248
bonds (distance) P-C4' energy: -114.705
flat angles C4'-P-C4' energy: -123.290
flat angles P-C4'-P energy: -72.954
tors. eta vs tors. theta energy: -164.751
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: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1731.129580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.129580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.129580 (E_RNA)
where:
Base-Base interactions energy: -1177.274
where: short stacking energy: -539.223
Base-Backbone interact. energy: -2.294
local terms energy: -551.561622
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -97.526
flat angles C4'-P-C4' energy: -117.953
flat angles P-C4'-P energy: -93.081
tors. eta vs tors. theta energy: -148.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1689.862828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.862828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.862828 (E_RNA)
where:
Base-Base interactions energy: -1151.965
where: short stacking energy: -528.278
Base-Backbone interact. energy: -0.658
local terms energy: -537.240014
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -90.264
flat angles C4'-P-C4' energy: -108.131
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -161.906
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: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1596.969163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.969163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.969163 (E_RNA)
where:
Base-Base interactions energy: -1096.814
where: short stacking energy: -468.172
Base-Backbone interact. energy: -0.314
local terms energy: -499.841772
where:
bonds (distance) C4'-P energy: -94.856
bonds (distance) P-C4' energy: -101.712
flat angles C4'-P-C4' energy: -108.135
flat angles P-C4'-P energy: -66.206
tors. eta vs tors. theta energy: -128.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1538.794612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.794612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.794612 (E_RNA)
where:
Base-Base interactions energy: -1038.282
where: short stacking energy: -458.761
Base-Backbone interact. energy: -1.854
local terms energy: -498.658217
where:
bonds (distance) C4'-P energy: -89.196
bonds (distance) P-C4' energy: -96.744
flat angles C4'-P-C4' energy: -106.626
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -133.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1360.569611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.569611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.569611 (E_RNA)
where:
Base-Base interactions energy: -907.515
where: short stacking energy: -379.587
Base-Backbone interact. energy: 2.911
local terms energy: -455.965256
where:
bonds (distance) C4'-P energy: -100.436
bonds (distance) P-C4' energy: -90.784
flat angles C4'-P-C4' energy: -104.309
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -95.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1292.217179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.217179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.217179 (E_RNA)
where:
Base-Base interactions energy: -850.183
where: short stacking energy: -373.834
Base-Backbone interact. energy: -3.158
local terms energy: -438.877014
where:
bonds (distance) C4'-P energy: -79.699
bonds (distance) P-C4' energy: -101.969
flat angles C4'-P-C4' energy: -102.741
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: -93.150
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: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -899.341574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.341574 (E_RNA)
where:
Base-Base interactions energy: -533.312
where: short stacking energy: -249.524
Base-Backbone interact. energy: -0.099
local terms energy: -365.930176
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -433.570206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.570206 (E_RNA)
where:
Base-Base interactions energy: -153.751
where: short stacking energy: -127.480
Base-Backbone interact. energy: -1.394
local terms energy: -278.425378
where:
bonds (distance) C4'-P energy: -82.500
bonds (distance) P-C4' energy: -97.077
flat angles C4'-P-C4' energy: -68.000
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: 12.282
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: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1937.353455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.353455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.353455 (E_RNA)
where:
Base-Base interactions energy: -1325.780
where: short stacking energy: -582.106
Base-Backbone interact. energy: -3.445
local terms energy: -608.128785
where:
bonds (distance) C4'-P energy: -99.103
bonds (distance) P-C4' energy: -106.683
flat angles C4'-P-C4' energy: -124.832
flat angles P-C4'-P energy: -92.230
tors. eta vs tors. theta energy: -185.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1802.238488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.238488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.238488 (E_RNA)
where:
Base-Base interactions energy: -1222.197
where: short stacking energy: -526.005
Base-Backbone interact. energy: -3.254
local terms energy: -576.786945
where:
bonds (distance) C4'-P energy: -115.421
bonds (distance) P-C4' energy: -102.981
flat angles C4'-P-C4' energy: -122.424
flat angles P-C4'-P energy: -78.680
tors. eta vs tors. theta energy: -157.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1715.375485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.375485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.375485 (E_RNA)
where:
Base-Base interactions energy: -1143.558
where: short stacking energy: -508.629
Base-Backbone interact. energy: -3.913
local terms energy: -567.904550
where:
bonds (distance) C4'-P energy: -109.795
bonds (distance) P-C4' energy: -101.884
flat angles C4'-P-C4' energy: -123.074
flat angles P-C4'-P energy: -83.944
tors. eta vs tors. theta energy: -149.208
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1724.667197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.667197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.667197 (E_RNA)
where:
Base-Base interactions energy: -1148.661
where: short stacking energy: -502.308
Base-Backbone interact. energy: -0.284
local terms energy: -575.722263
where:
bonds (distance) C4'-P energy: -95.963
bonds (distance) P-C4' energy: -109.739
flat angles C4'-P-C4' energy: -120.314
flat angles P-C4'-P energy: -93.406
tors. eta vs tors. theta energy: -156.301
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: 174
Temperature: 1.100000
Total energy: -1566.932236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.932236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.932236 (E_RNA)
where:
Base-Base interactions energy: -1065.824
where: short stacking energy: -457.317
Base-Backbone interact. energy: -0.705
local terms energy: -500.402375
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -104.908
flat angles P-C4'-P energy: -69.735
tors. eta vs tors. theta energy: -133.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1592.721573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.721573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.721573 (E_RNA)
where:
Base-Base interactions energy: -1082.681
where: short stacking energy: -478.103
Base-Backbone interact. energy: -1.940
local terms energy: -508.101239
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -101.900
flat angles C4'-P-C4' energy: -124.465
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -131.872
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1354.085978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.085978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.085978 (E_RNA)
where:
Base-Base interactions energy: -941.466
where: short stacking energy: -408.394
Base-Backbone interact. energy: -1.585
local terms energy: -411.034197
where:
bonds (distance) C4'-P energy: -71.178
bonds (distance) P-C4' energy: -77.580
flat angles C4'-P-C4' energy: -100.622
flat angles P-C4'-P energy: -63.558
tors. eta vs tors. theta energy: -98.097
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: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1283.830473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.830473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.830473 (E_RNA)
where:
Base-Base interactions energy: -839.621
where: short stacking energy: -377.759
Base-Backbone interact. energy: -2.772
local terms energy: -441.438178
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -100.215
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -61.833
tors. eta vs tors. theta energy: -85.414
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: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -873.347669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.347669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.347669 (E_RNA)
where:
Base-Base interactions energy: -517.626
where: short stacking energy: -250.448
Base-Backbone interact. energy: -3.087
local terms energy: -352.634707
where:
bonds (distance) C4'-P energy: -98.943
bonds (distance) P-C4' energy: -83.958
flat angles C4'-P-C4' energy: -85.807
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -30.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -459.843059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.843059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.843059 (E_RNA)
where:
Base-Base interactions energy: -185.358
where: short stacking energy: -129.457
Base-Backbone interact. energy: 1.617
local terms energy: -276.101435
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -80.174
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: 11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1908.961520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.961520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.961520 (E_RNA)
where:
Base-Base interactions energy: -1308.486
where: short stacking energy: -575.686
Base-Backbone interact. energy: -0.745
local terms energy: -599.730738
where:
bonds (distance) C4'-P energy: -118.382
bonds (distance) P-C4' energy: -101.857
flat angles C4'-P-C4' energy: -123.660
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: -171.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1828.060931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.060931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.060931 (E_RNA)
where:
Base-Base interactions energy: -1266.546
where: short stacking energy: -558.247
Base-Backbone interact. energy: -4.354
local terms energy: -557.160714
where:
bonds (distance) C4'-P energy: -105.151
bonds (distance) P-C4' energy: -88.803
flat angles C4'-P-C4' energy: -120.748
flat angles P-C4'-P energy: -77.159
tors. eta vs tors. theta energy: -165.300
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: 175
Temperature: 1.000000
Total energy: -1772.170445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.170445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.170445 (E_RNA)
where:
Base-Base interactions energy: -1220.908
where: short stacking energy: -539.415
Base-Backbone interact. energy: -1.019
local terms energy: -550.242812
where:
bonds (distance) C4'-P energy: -92.186
bonds (distance) P-C4' energy: -96.181
flat angles C4'-P-C4' energy: -122.748
flat angles P-C4'-P energy: -81.221
tors. eta vs tors. theta energy: -157.906
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: 175
Temperature: 1.050000
Total energy: -1698.899911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.899911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.899911 (E_RNA)
where:
Base-Base interactions energy: -1137.201
where: short stacking energy: -510.673
Base-Backbone interact. energy: 2.956
local terms energy: -564.654977
where:
bonds (distance) C4'-P energy: -94.820
bonds (distance) P-C4' energy: -112.267
flat angles C4'-P-C4' energy: -120.386
flat angles P-C4'-P energy: -86.571
tors. eta vs tors. theta energy: -150.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1546.289500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.289500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.289500 (E_RNA)
where:
Base-Base interactions energy: -1047.055
where: short stacking energy: -458.024
Base-Backbone interact. energy: -1.848
local terms energy: -497.387063
where:
bonds (distance) C4'-P energy: -96.640
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -112.381
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -118.478
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: 175
Temperature: 1.150000
Total energy: -1550.070764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.070764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.070764 (E_RNA)
where:
Base-Base interactions energy: -1043.990
where: short stacking energy: -459.093
Base-Backbone interact. energy: -1.078
local terms energy: -505.003003
where:
bonds (distance) C4'-P energy: -90.858
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -69.720
tors. eta vs tors. theta energy: -137.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1456.572106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.572106 (E_RNA)
where:
Base-Base interactions energy: -1001.854
where: short stacking energy: -434.022
Base-Backbone interact. energy: 4.758
local terms energy: -459.475665
where:
bonds (distance) C4'-P energy: -70.207
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -96.159
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -113.716
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: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1251.787727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.787727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.787727 (E_RNA)
where:
Base-Base interactions energy: -856.882
where: short stacking energy: -378.265
Base-Backbone interact. energy: -2.781
local terms energy: -392.124893
where:
bonds (distance) C4'-P energy: -80.804
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -91.496
flat angles P-C4'-P energy: -57.095
tors. eta vs tors. theta energy: -90.553
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: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -842.533669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.533669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.533669 (E_RNA)
where:
Base-Base interactions energy: -475.871
where: short stacking energy: -224.717
Base-Backbone interact. energy: 0.831
local terms energy: -367.494189
where:
bonds (distance) C4'-P energy: -100.359
bonds (distance) P-C4' energy: -97.841
flat angles C4'-P-C4' energy: -71.570
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -445.725730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.725730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.725730 (E_RNA)
where:
Base-Base interactions energy: -177.418
where: short stacking energy: -124.284
Base-Backbone interact. energy: -2.528
local terms energy: -265.779434
where:
bonds (distance) C4'-P energy: -80.020
bonds (distance) P-C4' energy: -87.850
flat angles C4'-P-C4' energy: -72.951
flat angles P-C4'-P energy: -57.020
tors. eta vs tors. theta energy: 32.062
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: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1929.487515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.487515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.487515 (E_RNA)
where:
Base-Base interactions energy: -1316.471
where: short stacking energy: -595.741
Base-Backbone interact. energy: -0.459
local terms energy: -612.558006
where:
bonds (distance) C4'-P energy: -111.865
bonds (distance) P-C4' energy: -104.600
flat angles C4'-P-C4' energy: -117.615
flat angles P-C4'-P energy: -94.307
tors. eta vs tors. theta energy: -184.171
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1797.793962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.793962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.793962 (E_RNA)
where:
Base-Base interactions energy: -1239.417
where: short stacking energy: -545.805
Base-Backbone interact. energy: -0.874
local terms energy: -557.502482
where:
bonds (distance) C4'-P energy: -92.547
bonds (distance) P-C4' energy: -98.716
flat angles C4'-P-C4' energy: -127.232
flat angles P-C4'-P energy: -80.312
tors. eta vs tors. theta energy: -158.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1765.445057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.445057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.445057 (E_RNA)
where:
Base-Base interactions energy: -1199.719
where: short stacking energy: -534.712
Base-Backbone interact. energy: -2.233
local terms energy: -563.493092
where:
bonds (distance) C4'-P energy: -97.799
bonds (distance) P-C4' energy: -109.020
flat angles C4'-P-C4' energy: -118.678
flat angles P-C4'-P energy: -83.531
tors. eta vs tors. theta energy: -154.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1665.653015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.653015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.653015 (E_RNA)
where:
Base-Base interactions energy: -1139.315
where: short stacking energy: -501.223
Base-Backbone interact. energy: -0.617
local terms energy: -525.720681
where:
bonds (distance) C4'-P energy: -96.014
bonds (distance) P-C4' energy: -96.720
flat angles C4'-P-C4' energy: -107.417
flat angles P-C4'-P energy: -76.641
tors. eta vs tors. theta energy: -148.929
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: 176
Temperature: 1.100000
Total energy: -1598.947800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.947800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.947800 (E_RNA)
where:
Base-Base interactions energy: -1092.706
where: short stacking energy: -480.426
Base-Backbone interact. energy: -1.440
local terms energy: -504.801323
where:
bonds (distance) C4'-P energy: -90.472
bonds (distance) P-C4' energy: -91.039
flat angles C4'-P-C4' energy: -114.672
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -135.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1524.525006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.525006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.525006 (E_RNA)
where:
Base-Base interactions energy: -1039.562
where: short stacking energy: -436.251
Base-Backbone interact. energy: 1.306
local terms energy: -486.268338
where:
bonds (distance) C4'-P energy: -96.829
bonds (distance) P-C4' energy: -87.275
flat angles C4'-P-C4' energy: -108.805
flat angles P-C4'-P energy: -61.553
tors. eta vs tors. theta energy: -131.808
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: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1480.012240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.012240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.012240 (E_RNA)
where:
Base-Base interactions energy: -1004.073
where: short stacking energy: -448.286
Base-Backbone interact. energy: -1.389
local terms energy: -474.549508
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -88.910
flat angles C4'-P-C4' energy: -94.329
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -126.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1300.730451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.730451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.730451 (E_RNA)
where:
Base-Base interactions energy: -902.386
where: short stacking energy: -378.902
Base-Backbone interact. energy: -1.328
local terms energy: -397.016675
where:
bonds (distance) C4'-P energy: -87.232
bonds (distance) P-C4' energy: -77.385
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -60.524
tors. eta vs tors. theta energy: -88.370
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: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -952.124323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.124323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.124323 (E_RNA)
where:
Base-Base interactions energy: -590.440
where: short stacking energy: -260.526
Base-Backbone interact. energy: -0.415
local terms energy: -361.269342
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -86.783
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -40.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -515.814732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.814732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.814732 (E_RNA)
where:
Base-Base interactions energy: -194.627
where: short stacking energy: -115.275
Base-Backbone interact. energy: -0.800
local terms energy: -320.387184
where:
bonds (distance) C4'-P energy: -113.488
bonds (distance) P-C4' energy: -87.921
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -56.334
tors. eta vs tors. theta energy: 11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1935.517430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.517430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.517430 (E_RNA)
where:
Base-Base interactions energy: -1316.920
where: short stacking energy: -565.158
Base-Backbone interact. energy: 0.196
local terms energy: -618.793052
where:
bonds (distance) C4'-P energy: -113.621
bonds (distance) P-C4' energy: -117.477
flat angles C4'-P-C4' energy: -121.002
flat angles P-C4'-P energy: -87.466
tors. eta vs tors. theta energy: -179.227
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: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1774.018941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.018941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.018941 (E_RNA)
where:
Base-Base interactions energy: -1213.315
where: short stacking energy: -506.544
Base-Backbone interact. energy: -1.053
local terms energy: -559.651924
where:
bonds (distance) C4'-P energy: -103.948
bonds (distance) P-C4' energy: -106.882
flat angles C4'-P-C4' energy: -114.860
flat angles P-C4'-P energy: -80.046
tors. eta vs tors. theta energy: -153.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1759.140281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.140281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.140281 (E_RNA)
where:
Base-Base interactions energy: -1197.171
where: short stacking energy: -536.746
Base-Backbone interact. energy: -2.341
local terms energy: -559.628120
where:
bonds (distance) C4'-P energy: -93.793
bonds (distance) P-C4' energy: -104.405
flat angles C4'-P-C4' energy: -117.800
flat angles P-C4'-P energy: -80.660
tors. eta vs tors. theta energy: -162.970
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: 177
Temperature: 1.050000
Total energy: -1653.820656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.820656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.820656 (E_RNA)
where:
Base-Base interactions energy: -1091.835
where: short stacking energy: -495.227
Base-Backbone interact. energy: -2.501
local terms energy: -559.485119
where:
bonds (distance) C4'-P energy: -107.392
bonds (distance) P-C4' energy: -107.378
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -79.400
tors. eta vs tors. theta energy: -154.242
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: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1567.466728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.466728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.466728 (E_RNA)
where:
Base-Base interactions energy: -1075.197
where: short stacking energy: -459.028
Base-Backbone interact. energy: -1.029
local terms energy: -491.240120
where:
bonds (distance) C4'-P energy: -93.203
bonds (distance) P-C4' energy: -83.746
flat angles C4'-P-C4' energy: -115.197
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -128.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1523.746901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.746901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.746901 (E_RNA)
where:
Base-Base interactions energy: -1035.941
where: short stacking energy: -448.757
Base-Backbone interact. energy: 2.320
local terms energy: -490.126287
where:
bonds (distance) C4'-P energy: -98.785
bonds (distance) P-C4' energy: -86.707
flat angles C4'-P-C4' energy: -109.306
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -122.947
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: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1428.649174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.649174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.649174 (E_RNA)
where:
Base-Base interactions energy: -945.293
where: short stacking energy: -429.900
Base-Backbone interact. energy: -3.064
local terms energy: -480.293082
where:
bonds (distance) C4'-P energy: -88.540
bonds (distance) P-C4' energy: -105.714
flat angles C4'-P-C4' energy: -101.040
flat angles P-C4'-P energy: -72.000
tors. eta vs tors. theta energy: -112.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1306.236554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.236554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.236554 (E_RNA)
where:
Base-Base interactions energy: -874.874
where: short stacking energy: -374.599
Base-Backbone interact. energy: -2.724
local terms energy: -428.639027
where:
bonds (distance) C4'-P energy: -97.620
bonds (distance) P-C4' energy: -84.234
flat angles C4'-P-C4' energy: -93.802
flat angles P-C4'-P energy: -55.425
tors. eta vs tors. theta energy: -97.557
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: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -982.011670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.011670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.011670 (E_RNA)
where:
Base-Base interactions energy: -614.463
where: short stacking energy: -289.832
Base-Backbone interact. energy: 1.371
local terms energy: -368.918969
where:
bonds (distance) C4'-P energy: -79.102
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -74.493
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -60.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -542.478613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.478613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.478613 (E_RNA)
where:
Base-Base interactions energy: -253.457
where: short stacking energy: -160.214
Base-Backbone interact. energy: -0.428
local terms energy: -288.593506
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -88.180
flat angles C4'-P-C4' energy: -73.683
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: 21.767
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1922.315709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.315709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.315709 (E_RNA)
where:
Base-Base interactions energy: -1312.538
where: short stacking energy: -557.808
Base-Backbone interact. energy: -3.885
local terms energy: -605.893213
where:
bonds (distance) C4'-P energy: -110.968
bonds (distance) P-C4' energy: -104.952
flat angles C4'-P-C4' energy: -129.345
flat angles P-C4'-P energy: -84.796
tors. eta vs tors. theta energy: -175.832
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: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1825.505446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.505446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.505446 (E_RNA)
where:
Base-Base interactions energy: -1245.191
where: short stacking energy: -538.780
Base-Backbone interact. energy: -0.835
local terms energy: -579.479432
where:
bonds (distance) C4'-P energy: -106.001
bonds (distance) P-C4' energy: -108.713
flat angles C4'-P-C4' energy: -121.665
flat angles P-C4'-P energy: -83.287
tors. eta vs tors. theta energy: -159.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1712.299410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.299410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.299410 (E_RNA)
where:
Base-Base interactions energy: -1162.502
where: short stacking energy: -517.809
Base-Backbone interact. energy: -0.929
local terms energy: -548.867964
where:
bonds (distance) C4'-P energy: -106.507
bonds (distance) P-C4' energy: -102.606
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -77.011
tors. eta vs tors. theta energy: -147.452
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1696.652463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.652463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.652463 (E_RNA)
where:
Base-Base interactions energy: -1163.143
where: short stacking energy: -518.454
Base-Backbone interact. energy: -0.514
local terms energy: -532.995483
where:
bonds (distance) C4'-P energy: -97.080
bonds (distance) P-C4' energy: -99.627
flat angles C4'-P-C4' energy: -116.769
flat angles P-C4'-P energy: -65.755
tors. eta vs tors. theta energy: -153.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1519.201742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.201742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.201742 (E_RNA)
where:
Base-Base interactions energy: -1027.956
where: short stacking energy: -457.997
Base-Backbone interact. energy: -0.619
local terms energy: -490.626424
where:
bonds (distance) C4'-P energy: -85.358
bonds (distance) P-C4' energy: -92.677
flat angles C4'-P-C4' energy: -110.168
flat angles P-C4'-P energy: -82.499
tors. eta vs tors. theta energy: -119.924
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1508.046765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.046765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.046765 (E_RNA)
where:
Base-Base interactions energy: -1015.150
where: short stacking energy: -427.887
Base-Backbone interact. energy: -2.298
local terms energy: -490.598594
where:
bonds (distance) C4'-P energy: -91.495
bonds (distance) P-C4' energy: -89.566
flat angles C4'-P-C4' energy: -111.035
flat angles P-C4'-P energy: -80.449
tors. eta vs tors. theta energy: -118.053
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1391.393687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.393687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.393687 (E_RNA)
where:
Base-Base interactions energy: -930.474
where: short stacking energy: -407.562
Base-Backbone interact. energy: 0.140
local terms energy: -461.059975
where:
bonds (distance) C4'-P energy: -97.195
bonds (distance) P-C4' energy: -96.147
flat angles C4'-P-C4' energy: -92.397
flat angles P-C4'-P energy: -74.734
tors. eta vs tors. theta energy: -100.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1298.201855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.201855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.201855 (E_RNA)
where:
Base-Base interactions energy: -860.283
where: short stacking energy: -357.968
Base-Backbone interact. energy: -1.584
local terms energy: -436.334916
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -91.939
flat angles P-C4'-P energy: -71.854
tors. eta vs tors. theta energy: -91.674
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: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -994.027216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.027216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.027216 (E_RNA)
where:
Base-Base interactions energy: -620.875
where: short stacking energy: -294.115
Base-Backbone interact. energy: -0.398
local terms energy: -372.753718
where:
bonds (distance) C4'-P energy: -78.796
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -91.672
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -54.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -588.804766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.804766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.804766 (E_RNA)
where:
Base-Base interactions energy: -293.429
where: short stacking energy: -179.855
Base-Backbone interact. energy: -2.128
local terms energy: -293.248340
where:
bonds (distance) C4'-P energy: -73.153
bonds (distance) P-C4' energy: -74.994
flat angles C4'-P-C4' energy: -85.374
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1923.369297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.369297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.369297 (E_RNA)
where:
Base-Base interactions energy: -1313.374
where: short stacking energy: -572.359
Base-Backbone interact. energy: -2.929
local terms energy: -607.066328
where:
bonds (distance) C4'-P energy: -117.791
bonds (distance) P-C4' energy: -111.714
flat angles C4'-P-C4' energy: -119.803
flat angles P-C4'-P energy: -77.592
tors. eta vs tors. theta energy: -180.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1823.836204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.836204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.836204 (E_RNA)
where:
Base-Base interactions energy: -1241.307
where: short stacking energy: -535.867
Base-Backbone interact. energy: -1.200
local terms energy: -581.329635
where:
bonds (distance) C4'-P energy: -116.269
bonds (distance) P-C4' energy: -104.232
flat angles C4'-P-C4' energy: -110.948
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -156.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1714.222258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.222258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.222258 (E_RNA)
where:
Base-Base interactions energy: -1148.406
where: short stacking energy: -488.048
Base-Backbone interact. energy: 0.087
local terms energy: -565.903346
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -112.391
flat angles C4'-P-C4' energy: -122.954
flat angles P-C4'-P energy: -85.058
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: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1681.324662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.324662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.324662 (E_RNA)
where:
Base-Base interactions energy: -1144.993
where: short stacking energy: -532.805
Base-Backbone interact. energy: -3.163
local terms energy: -533.169099
where:
bonds (distance) C4'-P energy: -84.640
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -73.661
tors. eta vs tors. theta energy: -158.195
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: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1543.889791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.889791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.889791 (E_RNA)
where:
Base-Base interactions energy: -1020.423
where: short stacking energy: -468.489
Base-Backbone interact. energy: -2.632
local terms energy: -520.834921
where:
bonds (distance) C4'-P energy: -97.284
bonds (distance) P-C4' energy: -109.270
flat angles C4'-P-C4' energy: -106.238
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -125.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1531.976714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.976714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.976714 (E_RNA)
where:
Base-Base interactions energy: -1027.026
where: short stacking energy: -443.442
Base-Backbone interact. energy: -0.667
local terms energy: -504.284052
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -97.112
flat angles C4'-P-C4' energy: -111.956
flat angles P-C4'-P energy: -70.424
tors. eta vs tors. theta energy: -132.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1420.916298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.916298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.916298 (E_RNA)
where:
Base-Base interactions energy: -955.986
where: short stacking energy: -405.428
Base-Backbone interact. energy: -5.203
local terms energy: -459.727712
where:
bonds (distance) C4'-P energy: -101.566
bonds (distance) P-C4' energy: -90.824
flat angles C4'-P-C4' energy: -110.273
flat angles P-C4'-P energy: -53.308
tors. eta vs tors. theta energy: -103.756
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: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1268.568433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.568433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.568433 (E_RNA)
where:
Base-Base interactions energy: -840.455
where: short stacking energy: -368.222
Base-Backbone interact. energy: 0.566
local terms energy: -428.678736
where:
bonds (distance) C4'-P energy: -84.250
bonds (distance) P-C4' energy: -85.187
flat angles C4'-P-C4' energy: -102.407
flat angles P-C4'-P energy: -65.724
tors. eta vs tors. theta energy: -91.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -983.736057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.736057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.736057 (E_RNA)
where:
Base-Base interactions energy: -623.397
where: short stacking energy: -287.819
Base-Backbone interact. energy: -1.781
local terms energy: -358.558787
where:
bonds (distance) C4'-P energy: -90.625
bonds (distance) P-C4' energy: -94.632
flat angles C4'-P-C4' energy: -76.871
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: -53.686
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: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -550.698540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.698540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.698540 (E_RNA)
where:
Base-Base interactions energy: -260.239
where: short stacking energy: -153.178
Base-Backbone interact. energy: 0.469
local terms energy: -290.928502
where:
bonds (distance) C4'-P energy: -91.984
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -88.638
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: 14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1922.697490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.697490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.697490 (E_RNA)
where:
Base-Base interactions energy: -1330.639
where: short stacking energy: -575.303
Base-Backbone interact. energy: -2.927
local terms energy: -589.131077
where:
bonds (distance) C4'-P energy: -99.529
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -116.835
flat angles P-C4'-P energy: -89.732
tors. eta vs tors. theta energy: -181.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1793.384494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.384494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.384494 (E_RNA)
where:
Base-Base interactions energy: -1242.598
where: short stacking energy: -527.264
Base-Backbone interact. energy: -1.864
local terms energy: -548.922298
where:
bonds (distance) C4'-P energy: -98.504
bonds (distance) P-C4' energy: -100.083
flat angles C4'-P-C4' energy: -116.942
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -155.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1733.401595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.401595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.401595 (E_RNA)
where:
Base-Base interactions energy: -1190.133
where: short stacking energy: -523.723
Base-Backbone interact. energy: 7.190
local terms energy: -550.458383
where:
bonds (distance) C4'-P energy: -102.250
bonds (distance) P-C4' energy: -110.578
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -74.042
tors. eta vs tors. theta energy: -149.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1688.365821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.365821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.365821 (E_RNA)
where:
Base-Base interactions energy: -1133.614
where: short stacking energy: -483.612
Base-Backbone interact. energy: 2.723
local terms energy: -557.474696
where:
bonds (distance) C4'-P energy: -104.052
bonds (distance) P-C4' energy: -119.768
flat angles C4'-P-C4' energy: -114.180
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -139.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1596.967071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.967071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.967071 (E_RNA)
where:
Base-Base interactions energy: -1097.907
where: short stacking energy: -487.037
Base-Backbone interact. energy: -1.353
local terms energy: -497.706934
where:
bonds (distance) C4'-P energy: -97.866
bonds (distance) P-C4' energy: -88.251
flat angles C4'-P-C4' energy: -108.694
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -135.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1507.043445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.043445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.043445 (E_RNA)
where:
Base-Base interactions energy: -1044.122
where: short stacking energy: -451.390
Base-Backbone interact. energy: -1.805
local terms energy: -461.116834
where:
bonds (distance) C4'-P energy: -87.519
bonds (distance) P-C4' energy: -96.479
flat angles C4'-P-C4' energy: -96.426
flat angles P-C4'-P energy: -68.142
tors. eta vs tors. theta energy: -112.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1401.747930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.747930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.747930 (E_RNA)
where:
Base-Base interactions energy: -964.035
where: short stacking energy: -423.706
Base-Backbone interact. energy: 5.740
local terms energy: -443.452597
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -92.853
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: -108.391
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1243.048351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.048351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.048351 (E_RNA)
where:
Base-Base interactions energy: -846.597
where: short stacking energy: -366.291
Base-Backbone interact. energy: -1.526
local terms energy: -394.925357
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -92.498
flat angles C4'-P-C4' energy: -80.671
flat angles P-C4'-P energy: -54.947
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -967.859681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.859681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.859681 (E_RNA)
where:
Base-Base interactions energy: -608.907
where: short stacking energy: -272.919
Base-Backbone interact. energy: 0.212
local terms energy: -359.164735
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -97.969
flat angles C4'-P-C4' energy: -69.234
flat angles P-C4'-P energy: -66.473
tors. eta vs tors. theta energy: -45.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -531.756095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.756095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.756095 (E_RNA)
where:
Base-Base interactions energy: -232.142
where: short stacking energy: -136.392
Base-Backbone interact. energy: 0.805
local terms energy: -300.419207
where:
bonds (distance) C4'-P energy: -81.906
bonds (distance) P-C4' energy: -101.079
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -0.960
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: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1930.771653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.771653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.771653 (E_RNA)
where:
Base-Base interactions energy: -1331.862
where: short stacking energy: -592.709
Base-Backbone interact. energy: -2.901
local terms energy: -596.007785
where:
bonds (distance) C4'-P energy: -103.905
bonds (distance) P-C4' energy: -102.611
flat angles C4'-P-C4' energy: -127.368
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -173.283
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: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1779.773232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.773232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.773232 (E_RNA)
where:
Base-Base interactions energy: -1212.093
where: short stacking energy: -543.526
Base-Backbone interact. energy: 0.381
local terms energy: -568.061170
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -100.627
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -87.106
tors. eta vs tors. theta energy: -166.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1722.478060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.478060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.478060 (E_RNA)
where:
Base-Base interactions energy: -1154.730
where: short stacking energy: -521.037
Base-Backbone interact. energy: -0.898
local terms energy: -566.850496
where:
bonds (distance) C4'-P energy: -114.165
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -115.398
flat angles P-C4'-P energy: -70.183
tors. eta vs tors. theta energy: -156.352
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: 181
Temperature: 1.050000
Total energy: -1709.325317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.325317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.325317 (E_RNA)
where:
Base-Base interactions energy: -1159.102
where: short stacking energy: -516.477
Base-Backbone interact. energy: -0.376
local terms energy: -549.846356
where:
bonds (distance) C4'-P energy: -106.922
bonds (distance) P-C4' energy: -93.988
flat angles C4'-P-C4' energy: -121.626
flat angles P-C4'-P energy: -78.397
tors. eta vs tors. theta energy: -148.913
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1556.021102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.021102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.021102 (E_RNA)
where:
Base-Base interactions energy: -1055.606
where: short stacking energy: -443.802
Base-Backbone interact. energy: -0.772
local terms energy: -499.643158
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -104.777
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -133.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1476.992055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.992055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.992055 (E_RNA)
where:
Base-Base interactions energy: -996.055
where: short stacking energy: -419.927
Base-Backbone interact. energy: 1.107
local terms energy: -482.043993
where:
bonds (distance) C4'-P energy: -86.588
bonds (distance) P-C4' energy: -94.394
flat angles C4'-P-C4' energy: -115.727
flat angles P-C4'-P energy: -61.436
tors. eta vs tors. theta energy: -123.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1422.399086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.399086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.399086 (E_RNA)
where:
Base-Base interactions energy: -939.059
where: short stacking energy: -419.572
Base-Backbone interact. energy: 0.465
local terms energy: -483.805331
where:
bonds (distance) C4'-P energy: -86.507
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -96.989
flat angles P-C4'-P energy: -63.216
tors. eta vs tors. theta energy: -126.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1242.111288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.111288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.111288 (E_RNA)
where:
Base-Base interactions energy: -842.759
where: short stacking energy: -367.406
Base-Backbone interact. energy: 0.595
local terms energy: -399.947635
where:
bonds (distance) C4'-P energy: -82.285
bonds (distance) P-C4' energy: -103.095
flat angles C4'-P-C4' energy: -88.827
flat angles P-C4'-P energy: -43.023
tors. eta vs tors. theta energy: -82.717
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -998.732176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.732176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.732176 (E_RNA)
where:
Base-Base interactions energy: -617.201
where: short stacking energy: -277.437
Base-Backbone interact. energy: 1.452
local terms energy: -382.982628
where:
bonds (distance) C4'-P energy: -100.899
bonds (distance) P-C4' energy: -80.182
flat angles C4'-P-C4' energy: -89.798
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -52.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -586.837870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.837870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.837870 (E_RNA)
where:
Base-Base interactions energy: -272.216
where: short stacking energy: -179.432
Base-Backbone interact. energy: 4.093
local terms energy: -318.715108
where:
bonds (distance) C4'-P energy: -99.086
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -81.524
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: 3.071
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: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1916.009440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.009440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.009440 (E_RNA)
where:
Base-Base interactions energy: -1307.668
where: short stacking energy: -583.254
Base-Backbone interact. energy: -3.898
local terms energy: -604.443058
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -108.544
flat angles C4'-P-C4' energy: -123.616
flat angles P-C4'-P energy: -89.503
tors. eta vs tors. theta energy: -170.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1784.842571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.842571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.842571 (E_RNA)
where:
Base-Base interactions energy: -1218.280
where: short stacking energy: -558.244
Base-Backbone interact. energy: 2.797
local terms energy: -569.360339
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -104.812
flat angles C4'-P-C4' energy: -117.957
flat angles P-C4'-P energy: -72.734
tors. eta vs tors. theta energy: -173.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1713.510038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.510038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.510038 (E_RNA)
where:
Base-Base interactions energy: -1149.797
where: short stacking energy: -518.671
Base-Backbone interact. energy: -1.678
local terms energy: -562.035527
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -94.800
flat angles C4'-P-C4' energy: -119.256
flat angles P-C4'-P energy: -76.822
tors. eta vs tors. theta energy: -157.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1658.267662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.267662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.267662 (E_RNA)
where:
Base-Base interactions energy: -1124.084
where: short stacking energy: -508.042
Base-Backbone interact. energy: -0.767
local terms energy: -533.416695
where:
bonds (distance) C4'-P energy: -96.957
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -105.413
flat angles P-C4'-P energy: -72.124
tors. eta vs tors. theta energy: -146.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1535.275220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.275220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.275220 (E_RNA)
where:
Base-Base interactions energy: -1040.856
where: short stacking energy: -446.151
Base-Backbone interact. energy: -0.164
local terms energy: -494.255681
where:
bonds (distance) C4'-P energy: -89.637
bonds (distance) P-C4' energy: -101.481
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -130.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1489.537680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.537680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.537680 (E_RNA)
where:
Base-Base interactions energy: -1027.731
where: short stacking energy: -421.012
Base-Backbone interact. energy: 0.645
local terms energy: -462.451916
where:
bonds (distance) C4'-P energy: -90.246
bonds (distance) P-C4' energy: -81.937
flat angles C4'-P-C4' energy: -107.206
flat angles P-C4'-P energy: -74.084
tors. eta vs tors. theta energy: -108.979
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: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1422.794083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.794083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.794083 (E_RNA)
where:
Base-Base interactions energy: -949.631
where: short stacking energy: -411.432
Base-Backbone interact. energy: -2.633
local terms energy: -470.529406
where:
bonds (distance) C4'-P energy: -83.955
bonds (distance) P-C4' energy: -102.836
flat angles C4'-P-C4' energy: -112.955
flat angles P-C4'-P energy: -61.066
tors. eta vs tors. theta energy: -109.717
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: 182
Temperature: 1.250000
Total energy: -1270.683257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.683257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.683257 (E_RNA)
where:
Base-Base interactions energy: -846.067
where: short stacking energy: -369.955
Base-Backbone interact. energy: 0.475
local terms energy: -425.091919
where:
bonds (distance) C4'-P energy: -88.346
bonds (distance) P-C4' energy: -88.261
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -53.450
tors. eta vs tors. theta energy: -93.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -933.637231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.637231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.637231 (E_RNA)
where:
Base-Base interactions energy: -569.865
where: short stacking energy: -268.826
Base-Backbone interact. energy: 0.494
local terms energy: -364.266884
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -46.072
tors. eta vs tors. theta energy: -55.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -552.175363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.175363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.175363 (E_RNA)
where:
Base-Base interactions energy: -270.563
where: short stacking energy: -162.713
Base-Backbone interact. energy: -1.317
local terms energy: -280.295098
where:
bonds (distance) C4'-P energy: -85.215
bonds (distance) P-C4' energy: -91.590
flat angles C4'-P-C4' energy: -68.715
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: 7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1923.611120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.611120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.611120 (E_RNA)
where:
Base-Base interactions energy: -1331.193
where: short stacking energy: -560.336
Base-Backbone interact. energy: -3.125
local terms energy: -589.293471
where:
bonds (distance) C4'-P energy: -107.248
bonds (distance) P-C4' energy: -108.931
flat angles C4'-P-C4' energy: -111.700
flat angles P-C4'-P energy: -85.182
tors. eta vs tors. theta energy: -176.232
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1787.524505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.524505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.524505 (E_RNA)
where:
Base-Base interactions energy: -1214.060
where: short stacking energy: -543.643
Base-Backbone interact. energy: -2.188
local terms energy: -571.276225
where:
bonds (distance) C4'-P energy: -105.110
bonds (distance) P-C4' energy: -97.548
flat angles C4'-P-C4' energy: -125.680
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -156.832
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: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1755.396050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.396050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.396050 (E_RNA)
where:
Base-Base interactions energy: -1190.488
where: short stacking energy: -551.108
Base-Backbone interact. energy: 1.452
local terms energy: -566.359528
where:
bonds (distance) C4'-P energy: -96.301
bonds (distance) P-C4' energy: -104.383
flat angles C4'-P-C4' energy: -121.681
flat angles P-C4'-P energy: -72.830
tors. eta vs tors. theta energy: -171.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1686.519516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.519516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.519516 (E_RNA)
where:
Base-Base interactions energy: -1150.286
where: short stacking energy: -508.666
Base-Backbone interact. energy: 0.513
local terms energy: -536.747162
where:
bonds (distance) C4'-P energy: -102.513
bonds (distance) P-C4' energy: -86.668
flat angles C4'-P-C4' energy: -114.124
flat angles P-C4'-P energy: -81.190
tors. eta vs tors. theta energy: -152.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1612.543356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.543356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.543356 (E_RNA)
where:
Base-Base interactions energy: -1102.602
where: short stacking energy: -485.683
Base-Backbone interact. energy: 2.850
local terms energy: -512.792021
where:
bonds (distance) C4'-P energy: -100.418
bonds (distance) P-C4' energy: -96.744
flat angles C4'-P-C4' energy: -103.422
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -146.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1447.767699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.767699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.767699 (E_RNA)
where:
Base-Base interactions energy: -995.511
where: short stacking energy: -392.749
Base-Backbone interact. energy: 0.104
local terms energy: -452.360693
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -101.733
flat angles P-C4'-P energy: -65.802
tors. eta vs tors. theta energy: -94.733
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: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1439.802162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.802162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.802162 (E_RNA)
where:
Base-Base interactions energy: -975.091
where: short stacking energy: -428.754
Base-Backbone interact. energy: 4.512
local terms energy: -469.222653
where:
bonds (distance) C4'-P energy: -86.480
bonds (distance) P-C4' energy: -96.726
flat angles C4'-P-C4' energy: -100.373
flat angles P-C4'-P energy: -67.397
tors. eta vs tors. theta energy: -118.247
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: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1199.082622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.082622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.082622 (E_RNA)
where:
Base-Base interactions energy: -784.824
where: short stacking energy: -356.946
Base-Backbone interact. energy: -2.739
local terms energy: -411.519489
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -100.297
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -89.205
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -971.007885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.007885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.007885 (E_RNA)
where:
Base-Base interactions energy: -607.373
where: short stacking energy: -283.208
Base-Backbone interact. energy: 1.825
local terms energy: -365.460031
where:
bonds (distance) C4'-P energy: -83.819
bonds (distance) P-C4' energy: -90.952
flat angles C4'-P-C4' energy: -89.279
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -42.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -551.894404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.894404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.894404 (E_RNA)
where:
Base-Base interactions energy: -258.487
where: short stacking energy: -140.042
Base-Backbone interact. energy: 2.267
local terms energy: -295.674150
where:
bonds (distance) C4'-P energy: -101.415
bonds (distance) P-C4' energy: -76.002
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: 12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1883.960220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.960220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.960220 (E_RNA)
where:
Base-Base interactions energy: -1282.783
where: short stacking energy: -565.561
Base-Backbone interact. energy: -0.628
local terms energy: -600.549231
where:
bonds (distance) C4'-P energy: -114.353
bonds (distance) P-C4' energy: -100.501
flat angles C4'-P-C4' energy: -124.793
flat angles P-C4'-P energy: -86.294
tors. eta vs tors. theta energy: -174.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1800.714096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.714096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.714096 (E_RNA)
where:
Base-Base interactions energy: -1230.472
where: short stacking energy: -564.651
Base-Backbone interact. energy: -1.463
local terms energy: -568.779611
where:
bonds (distance) C4'-P energy: -104.583
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -115.326
flat angles P-C4'-P energy: -89.681
tors. eta vs tors. theta energy: -159.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1724.419268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.419268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.419268 (E_RNA)
where:
Base-Base interactions energy: -1189.431
where: short stacking energy: -545.147
Base-Backbone interact. energy: -1.541
local terms energy: -533.447259
where:
bonds (distance) C4'-P energy: -88.920
bonds (distance) P-C4' energy: -94.398
flat angles C4'-P-C4' energy: -113.625
flat angles P-C4'-P energy: -74.551
tors. eta vs tors. theta energy: -161.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1682.842798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.842798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.842798 (E_RNA)
where:
Base-Base interactions energy: -1136.257
where: short stacking energy: -494.642
Base-Backbone interact. energy: -1.978
local terms energy: -544.607576
where:
bonds (distance) C4'-P energy: -97.012
bonds (distance) P-C4' energy: -101.886
flat angles C4'-P-C4' energy: -121.206
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -152.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1641.617218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.617218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.617218 (E_RNA)
where:
Base-Base interactions energy: -1111.816
where: short stacking energy: -509.386
Base-Backbone interact. energy: -0.052
local terms energy: -529.749078
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -104.273
flat angles C4'-P-C4' energy: -110.903
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -147.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1451.822725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.822725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.822725 (E_RNA)
where:
Base-Base interactions energy: -995.058
where: short stacking energy: -406.530
Base-Backbone interact. energy: -1.778
local terms energy: -454.987042
where:
bonds (distance) C4'-P energy: -82.970
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -93.087
flat angles P-C4'-P energy: -65.431
tors. eta vs tors. theta energy: -111.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1383.481781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.481781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.481781 (E_RNA)
where:
Base-Base interactions energy: -914.656
where: short stacking energy: -389.081
Base-Backbone interact. energy: -3.334
local terms energy: -465.491699
where:
bonds (distance) C4'-P energy: -88.453
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -107.575
flat angles P-C4'-P energy: -57.212
tors. eta vs tors. theta energy: -103.130
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1197.113782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.113782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.113782 (E_RNA)
where:
Base-Base interactions energy: -760.860
where: short stacking energy: -324.945
Base-Backbone interact. energy: 1.078
local terms energy: -437.332005
where:
bonds (distance) C4'-P energy: -99.910
bonds (distance) P-C4' energy: -94.536
flat angles C4'-P-C4' energy: -90.667
flat angles P-C4'-P energy: -63.134
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -923.932146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.932146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.932146 (E_RNA)
where:
Base-Base interactions energy: -570.047
where: short stacking energy: -240.532
Base-Backbone interact. energy: 4.434
local terms energy: -358.319405
where:
bonds (distance) C4'-P energy: -91.012
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -89.523
flat angles P-C4'-P energy: -50.754
tors. eta vs tors. theta energy: -24.505
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: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -474.897844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.897844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.897844 (E_RNA)
where:
Base-Base interactions energy: -215.078
where: short stacking energy: -137.621
Base-Backbone interact. energy: 2.532
local terms energy: -262.352135
where:
bonds (distance) C4'-P energy: -91.061
bonds (distance) P-C4' energy: -89.960
flat angles C4'-P-C4' energy: -64.649
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: 22.513
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: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1924.030112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.030112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.030112 (E_RNA)
where:
Base-Base interactions energy: -1303.334
where: short stacking energy: -565.834
Base-Backbone interact. energy: -4.740
local terms energy: -615.955918
where:
bonds (distance) C4'-P energy: -108.946
bonds (distance) P-C4' energy: -118.111
flat angles C4'-P-C4' energy: -128.646
flat angles P-C4'-P energy: -83.398
tors. eta vs tors. theta energy: -176.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1807.507054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.507054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.507054 (E_RNA)
where:
Base-Base interactions energy: -1214.222
where: short stacking energy: -555.791
Base-Backbone interact. energy: -2.479
local terms energy: -590.806391
where:
bonds (distance) C4'-P energy: -108.806
bonds (distance) P-C4' energy: -119.399
flat angles C4'-P-C4' energy: -120.917
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -158.435
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: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1728.966746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.966746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.966746 (E_RNA)
where:
Base-Base interactions energy: -1199.638
where: short stacking energy: -529.278
Base-Backbone interact. energy: -2.518
local terms energy: -526.811346
where:
bonds (distance) C4'-P energy: -93.523
bonds (distance) P-C4' energy: -90.536
flat angles C4'-P-C4' energy: -112.443
flat angles P-C4'-P energy: -72.961
tors. eta vs tors. theta energy: -157.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1682.155625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.155625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.155625 (E_RNA)
where:
Base-Base interactions energy: -1158.378
where: short stacking energy: -518.139
Base-Backbone interact. energy: -0.930
local terms energy: -522.847395
where:
bonds (distance) C4'-P energy: -90.050
bonds (distance) P-C4' energy: -99.410
flat angles C4'-P-C4' energy: -112.098
flat angles P-C4'-P energy: -67.061
tors. eta vs tors. theta energy: -154.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1595.702852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.702852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.702852 (E_RNA)
where:
Base-Base interactions energy: -1107.900
where: short stacking energy: -475.957
Base-Backbone interact. energy: -1.393
local terms energy: -486.409475
where:
bonds (distance) C4'-P energy: -83.900
bonds (distance) P-C4' energy: -89.996
flat angles C4'-P-C4' energy: -105.037
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -131.510
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: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1465.878061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.878061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.878061 (E_RNA)
where:
Base-Base interactions energy: -1011.536
where: short stacking energy: -443.231
Base-Backbone interact. energy: -0.287
local terms energy: -454.055414
where:
bonds (distance) C4'-P energy: -81.991
bonds (distance) P-C4' energy: -77.329
flat angles C4'-P-C4' energy: -114.855
flat angles P-C4'-P energy: -62.065
tors. eta vs tors. theta energy: -117.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1386.298280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.298280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.298280 (E_RNA)
where:
Base-Base interactions energy: -943.335
where: short stacking energy: -409.562
Base-Backbone interact. energy: -1.442
local terms energy: -441.520599
where:
bonds (distance) C4'-P energy: -100.748
bonds (distance) P-C4' energy: -89.521
flat angles C4'-P-C4' energy: -97.100
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -98.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1190.898186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.898186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.898186 (E_RNA)
where:
Base-Base interactions energy: -769.444
where: short stacking energy: -334.886
Base-Backbone interact. energy: 0.991
local terms energy: -422.445346
where:
bonds (distance) C4'-P energy: -88.472
bonds (distance) P-C4' energy: -102.744
flat angles C4'-P-C4' energy: -92.893
flat angles P-C4'-P energy: -65.227
tors. eta vs tors. theta energy: -73.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -923.961872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.961872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.961872 (E_RNA)
where:
Base-Base interactions energy: -577.587
where: short stacking energy: -260.828
Base-Backbone interact. energy: 1.437
local terms energy: -347.811159
where:
bonds (distance) C4'-P energy: -87.667
bonds (distance) P-C4' energy: -101.937
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -54.605
tors. eta vs tors. theta energy: -29.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -414.994031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.994031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.994031 (E_RNA)
where:
Base-Base interactions energy: -167.023
where: short stacking energy: -117.423
Base-Backbone interact. energy: -1.482
local terms energy: -246.489795
where:
bonds (distance) C4'-P energy: -79.325
bonds (distance) P-C4' energy: -92.754
flat angles C4'-P-C4' energy: -68.726
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: 37.466
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1932.801840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.801840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.801840 (E_RNA)
where:
Base-Base interactions energy: -1296.665
where: short stacking energy: -579.956
Base-Backbone interact. energy: -5.336
local terms energy: -630.800155
where:
bonds (distance) C4'-P energy: -113.612
bonds (distance) P-C4' energy: -131.176
flat angles C4'-P-C4' energy: -125.495
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -176.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1799.105994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.105994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.105994 (E_RNA)
where:
Base-Base interactions energy: -1231.194
where: short stacking energy: -547.768
Base-Backbone interact. energy: -2.901
local terms energy: -565.011211
where:
bonds (distance) C4'-P energy: -105.172
bonds (distance) P-C4' energy: -102.287
flat angles C4'-P-C4' energy: -121.779
flat angles P-C4'-P energy: -84.175
tors. eta vs tors. theta energy: -151.598
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: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1740.446987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.446987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.446987 (E_RNA)
where:
Base-Base interactions energy: -1188.218
where: short stacking energy: -538.499
Base-Backbone interact. energy: -1.858
local terms energy: -550.370381
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -98.218
flat angles C4'-P-C4' energy: -118.749
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -159.558
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: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1673.127376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.127376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.127376 (E_RNA)
where:
Base-Base interactions energy: -1132.652
where: short stacking energy: -491.432
Base-Backbone interact. energy: 0.338
local terms energy: -540.813842
where:
bonds (distance) C4'-P energy: -92.917
bonds (distance) P-C4' energy: -102.315
flat angles C4'-P-C4' energy: -115.287
flat angles P-C4'-P energy: -81.555
tors. eta vs tors. theta energy: -148.740
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: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1605.380692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.380692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.380692 (E_RNA)
where:
Base-Base interactions energy: -1088.644
where: short stacking energy: -466.712
Base-Backbone interact. energy: -3.246
local terms energy: -513.490435
where:
bonds (distance) C4'-P energy: -88.346
bonds (distance) P-C4' energy: -104.330
flat angles C4'-P-C4' energy: -115.652
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -134.475
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: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1481.083355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.083355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.083355 (E_RNA)
where:
Base-Base interactions energy: -1006.393
where: short stacking energy: -427.044
Base-Backbone interact. energy: -1.030
local terms energy: -473.659683
where:
bonds (distance) C4'-P energy: -85.696
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -95.686
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -116.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1399.839002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.839002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.839002 (E_RNA)
where:
Base-Base interactions energy: -937.421
where: short stacking energy: -421.740
Base-Backbone interact. energy: 0.968
local terms energy: -463.386318
where:
bonds (distance) C4'-P energy: -71.481
bonds (distance) P-C4' energy: -109.686
flat angles C4'-P-C4' energy: -102.336
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -110.844
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: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1232.451309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.451309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.451309 (E_RNA)
where:
Base-Base interactions energy: -825.822
where: short stacking energy: -376.837
Base-Backbone interact. energy: -3.051
local terms energy: -403.578644
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -93.064
flat angles C4'-P-C4' energy: -93.998
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -101.188
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -930.502527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.502527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.502527 (E_RNA)
where:
Base-Base interactions energy: -561.284
where: short stacking energy: -262.979
Base-Backbone interact. energy: -0.134
local terms energy: -369.085137
where:
bonds (distance) C4'-P energy: -85.904
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -95.632
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -37.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -441.898108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.898108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.898108 (E_RNA)
where:
Base-Base interactions energy: -148.492
where: short stacking energy: -114.415
Base-Backbone interact. energy: 0.294
local terms energy: -293.699991
where:
bonds (distance) C4'-P energy: -100.091
bonds (distance) P-C4' energy: -96.367
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: 16.923
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1914.701623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.701623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.701623 (E_RNA)
where:
Base-Base interactions energy: -1327.849
where: short stacking energy: -569.558
Base-Backbone interact. energy: -3.288
local terms energy: -583.565477
where:
bonds (distance) C4'-P energy: -110.005
bonds (distance) P-C4' energy: -93.702
flat angles C4'-P-C4' energy: -125.012
flat angles P-C4'-P energy: -92.176
tors. eta vs tors. theta energy: -162.671
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: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1818.421884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.421884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.421884 (E_RNA)
where:
Base-Base interactions energy: -1225.543
where: short stacking energy: -554.163
Base-Backbone interact. energy: 0.423
local terms energy: -593.301172
where:
bonds (distance) C4'-P energy: -115.610
bonds (distance) P-C4' energy: -107.436
flat angles C4'-P-C4' energy: -120.458
flat angles P-C4'-P energy: -86.387
tors. eta vs tors. theta energy: -163.410
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: 187
Temperature: 1.000000
Total energy: -1773.661666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.661666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.661666 (E_RNA)
where:
Base-Base interactions energy: -1202.130
where: short stacking energy: -538.969
Base-Backbone interact. energy: 2.027
local terms energy: -573.558432
where:
bonds (distance) C4'-P energy: -112.494
bonds (distance) P-C4' energy: -101.422
flat angles C4'-P-C4' energy: -112.744
flat angles P-C4'-P energy: -88.955
tors. eta vs tors. theta energy: -157.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1696.916224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.916224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.916224 (E_RNA)
where:
Base-Base interactions energy: -1157.063
where: short stacking energy: -528.865
Base-Backbone interact. energy: 0.977
local terms energy: -540.829411
where:
bonds (distance) C4'-P energy: -98.507
bonds (distance) P-C4' energy: -101.494
flat angles C4'-P-C4' energy: -104.953
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: -164.651
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: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1623.658086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.658086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.658086 (E_RNA)
where:
Base-Base interactions energy: -1092.052
where: short stacking energy: -470.055
Base-Backbone interact. energy: 1.710
local terms energy: -533.316458
where:
bonds (distance) C4'-P energy: -99.678
bonds (distance) P-C4' energy: -96.489
flat angles C4'-P-C4' energy: -120.393
flat angles P-C4'-P energy: -77.821
tors. eta vs tors. theta energy: -138.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1514.551654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.551654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.551654 (E_RNA)
where:
Base-Base interactions energy: -1035.107
where: short stacking energy: -430.182
Base-Backbone interact. energy: 0.264
local terms energy: -479.709300
where:
bonds (distance) C4'-P energy: -87.875
bonds (distance) P-C4' energy: -95.725
flat angles C4'-P-C4' energy: -110.215
flat angles P-C4'-P energy: -61.577
tors. eta vs tors. theta energy: -124.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1372.364211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.364211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.364211 (E_RNA)
where:
Base-Base interactions energy: -930.402
where: short stacking energy: -397.662
Base-Backbone interact. energy: 1.159
local terms energy: -443.120928
where:
bonds (distance) C4'-P energy: -92.948
bonds (distance) P-C4' energy: -93.804
flat angles C4'-P-C4' energy: -95.372
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -105.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1223.545097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.545097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.545097 (E_RNA)
where:
Base-Base interactions energy: -816.368
where: short stacking energy: -374.102
Base-Backbone interact. energy: -1.486
local terms energy: -405.690872
where:
bonds (distance) C4'-P energy: -80.148
bonds (distance) P-C4' energy: -95.279
flat angles C4'-P-C4' energy: -86.083
flat angles P-C4'-P energy: -65.315
tors. eta vs tors. theta energy: -78.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -992.656860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.656860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.656860 (E_RNA)
where:
Base-Base interactions energy: -616.389
where: short stacking energy: -299.703
Base-Backbone interact. energy: 0.336
local terms energy: -376.603616
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -94.646
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -44.219
tors. eta vs tors. theta energy: -64.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -447.522453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.522453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.522453 (E_RNA)
where:
Base-Base interactions energy: -167.843
where: short stacking energy: -137.987
Base-Backbone interact. energy: 0.679
local terms energy: -280.358672
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -87.909
flat angles C4'-P-C4' energy: -80.673
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: 1.373
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1934.805518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.805518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.805518 (E_RNA)
where:
Base-Base interactions energy: -1319.913
where: short stacking energy: -556.834
Base-Backbone interact. energy: -1.349
local terms energy: -613.543242
where:
bonds (distance) C4'-P energy: -114.460
bonds (distance) P-C4' energy: -106.477
flat angles C4'-P-C4' energy: -130.364
flat angles P-C4'-P energy: -88.172
tors. eta vs tors. theta energy: -174.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1792.511395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.511395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.511395 (E_RNA)
where:
Base-Base interactions energy: -1215.205
where: short stacking energy: -540.863
Base-Backbone interact. energy: -0.613
local terms energy: -576.692825
where:
bonds (distance) C4'-P energy: -109.753
bonds (distance) P-C4' energy: -93.335
flat angles C4'-P-C4' energy: -120.378
flat angles P-C4'-P energy: -84.742
tors. eta vs tors. theta energy: -168.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1768.591754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.591754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.591754 (E_RNA)
where:
Base-Base interactions energy: -1220.329
where: short stacking energy: -557.854
Base-Backbone interact. energy: 0.193
local terms energy: -548.455919
where:
bonds (distance) C4'-P energy: -102.201
bonds (distance) P-C4' energy: -104.259
flat angles C4'-P-C4' energy: -100.139
flat angles P-C4'-P energy: -82.308
tors. eta vs tors. theta energy: -159.548
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: 188
Temperature: 1.050000
Total energy: -1656.738628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.738628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.738628 (E_RNA)
where:
Base-Base interactions energy: -1119.017
where: short stacking energy: -471.150
Base-Backbone interact. energy: 0.870
local terms energy: -538.592401
where:
bonds (distance) C4'-P energy: -101.611
bonds (distance) P-C4' energy: -114.180
flat angles C4'-P-C4' energy: -105.218
flat angles P-C4'-P energy: -70.795
tors. eta vs tors. theta energy: -146.788
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: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1579.924294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.924294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.924294 (E_RNA)
where:
Base-Base interactions energy: -1080.644
where: short stacking energy: -470.734
Base-Backbone interact. energy: -0.413
local terms energy: -498.867357
where:
bonds (distance) C4'-P energy: -91.661
bonds (distance) P-C4' energy: -98.356
flat angles C4'-P-C4' energy: -104.848
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: -140.639
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: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1498.967635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.967635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.967635 (E_RNA)
where:
Base-Base interactions energy: -1009.512
where: short stacking energy: -442.327
Base-Backbone interact. energy: -0.576
local terms energy: -488.879120
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -115.857
flat angles C4'-P-C4' energy: -103.863
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -127.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1359.982105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.982105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.982105 (E_RNA)
where:
Base-Base interactions energy: -890.628
where: short stacking energy: -384.434
Base-Backbone interact. energy: -1.134
local terms energy: -468.220045
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -100.608
flat angles P-C4'-P energy: -69.214
tors. eta vs tors. theta energy: -99.704
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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1225.695387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.695387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.695387 (E_RNA)
where:
Base-Base interactions energy: -805.798
where: short stacking energy: -353.666
Base-Backbone interact. energy: 4.670
local terms energy: -424.567723
where:
bonds (distance) C4'-P energy: -88.401
bonds (distance) P-C4' energy: -93.797
flat angles C4'-P-C4' energy: -94.928
flat angles P-C4'-P energy: -65.168
tors. eta vs tors. theta energy: -82.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -961.171190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.171190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.171190 (E_RNA)
where:
Base-Base interactions energy: -602.727
where: short stacking energy: -284.593
Base-Backbone interact. energy: 2.760
local terms energy: -361.203625
where:
bonds (distance) C4'-P energy: -83.730
bonds (distance) P-C4' energy: -105.385
flat angles C4'-P-C4' energy: -93.582
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -38.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -429.054536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.054536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.054536 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -117.645
Base-Backbone interact. energy: 2.505
local terms energy: -295.872469
where:
bonds (distance) C4'-P energy: -74.330
bonds (distance) P-C4' energy: -104.701
flat angles C4'-P-C4' energy: -78.196
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: 8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1925.958794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.958794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.958794 (E_RNA)
where:
Base-Base interactions energy: -1318.996
where: short stacking energy: -547.546
Base-Backbone interact. energy: -1.867
local terms energy: -605.095969
where:
bonds (distance) C4'-P energy: -111.042
bonds (distance) P-C4' energy: -114.860
flat angles C4'-P-C4' energy: -118.708
flat angles P-C4'-P energy: -89.759
tors. eta vs tors. theta energy: -170.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1812.127596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.127596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.127596 (E_RNA)
where:
Base-Base interactions energy: -1226.204
where: short stacking energy: -557.948
Base-Backbone interact. energy: -0.576
local terms energy: -585.348095
where:
bonds (distance) C4'-P energy: -104.941
bonds (distance) P-C4' energy: -111.242
flat angles C4'-P-C4' energy: -125.559
flat angles P-C4'-P energy: -83.552
tors. eta vs tors. theta energy: -160.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1714.320462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.320462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.320462 (E_RNA)
where:
Base-Base interactions energy: -1134.688
where: short stacking energy: -512.414
Base-Backbone interact. energy: -3.851
local terms energy: -575.782315
where:
bonds (distance) C4'-P energy: -105.458
bonds (distance) P-C4' energy: -116.475
flat angles C4'-P-C4' energy: -110.809
flat angles P-C4'-P energy: -86.594
tors. eta vs tors. theta energy: -156.446
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: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1708.411392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.411392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.411392 (E_RNA)
where:
Base-Base interactions energy: -1159.131
where: short stacking energy: -510.506
Base-Backbone interact. energy: -1.165
local terms energy: -548.115497
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -97.371
flat angles C4'-P-C4' energy: -113.223
flat angles P-C4'-P energy: -74.404
tors. eta vs tors. theta energy: -158.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1591.364763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.364763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.364763 (E_RNA)
where:
Base-Base interactions energy: -1074.971
where: short stacking energy: -470.784
Base-Backbone interact. energy: -1.094
local terms energy: -515.299827
where:
bonds (distance) C4'-P energy: -94.492
bonds (distance) P-C4' energy: -92.464
flat angles C4'-P-C4' energy: -125.171
flat angles P-C4'-P energy: -60.831
tors. eta vs tors. theta energy: -142.342
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: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1505.939729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.939729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.939729 (E_RNA)
where:
Base-Base interactions energy: -1039.154
where: short stacking energy: -453.277
Base-Backbone interact. energy: 0.371
local terms energy: -467.156554
where:
bonds (distance) C4'-P energy: -82.357
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -118.027
flat angles P-C4'-P energy: -54.274
tors. eta vs tors. theta energy: -124.102
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: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1384.484291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.484291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.484291 (E_RNA)
where:
Base-Base interactions energy: -922.256
where: short stacking energy: -386.186
Base-Backbone interact. energy: 0.435
local terms energy: -462.664068
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -104.814
flat angles C4'-P-C4' energy: -103.701
flat angles P-C4'-P energy: -60.572
tors. eta vs tors. theta energy: -103.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1204.055297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.055297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.055297 (E_RNA)
where:
Base-Base interactions energy: -768.926
where: short stacking energy: -324.958
Base-Backbone interact. energy: -0.060
local terms energy: -435.069687
where:
bonds (distance) C4'-P energy: -101.304
bonds (distance) P-C4' energy: -88.886
flat angles C4'-P-C4' energy: -98.818
flat angles P-C4'-P energy: -65.382
tors. eta vs tors. theta energy: -80.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -963.472617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.472617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.472617 (E_RNA)
where:
Base-Base interactions energy: -590.230
where: short stacking energy: -289.063
Base-Backbone interact. energy: -0.114
local terms energy: -373.128870
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -81.433
flat angles C4'-P-C4' energy: -87.741
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -55.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -416.815303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.815303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.815303 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -111.241
Base-Backbone interact. energy: 3.253
local terms energy: -299.680788
where:
bonds (distance) C4'-P energy: -82.577
bonds (distance) P-C4' energy: -106.174
flat angles C4'-P-C4' energy: -74.977
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: 11.767
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1925.531073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.531073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.531073 (E_RNA)
where:
Base-Base interactions energy: -1329.627
where: short stacking energy: -578.484
Base-Backbone interact. energy: -0.795
local terms energy: -595.109679
where:
bonds (distance) C4'-P energy: -109.959
bonds (distance) P-C4' energy: -107.120
flat angles C4'-P-C4' energy: -120.823
flat angles P-C4'-P energy: -81.511
tors. eta vs tors. theta energy: -175.696
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: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1815.054261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.054261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.054261 (E_RNA)
where:
Base-Base interactions energy: -1243.348
where: short stacking energy: -556.087
Base-Backbone interact. energy: -3.405
local terms energy: -568.301221
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -114.461
flat angles P-C4'-P energy: -88.962
tors. eta vs tors. theta energy: -157.594
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: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1732.298213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.298213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.298213 (E_RNA)
where:
Base-Base interactions energy: -1188.037
where: short stacking energy: -538.424
Base-Backbone interact. energy: -1.262
local terms energy: -542.999505
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -101.322
flat angles C4'-P-C4' energy: -122.521
flat angles P-C4'-P energy: -71.835
tors. eta vs tors. theta energy: -149.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1659.937888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.937888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.937888 (E_RNA)
where:
Base-Base interactions energy: -1114.867
where: short stacking energy: -485.673
Base-Backbone interact. energy: -3.849
local terms energy: -541.221936
where:
bonds (distance) C4'-P energy: -102.614
bonds (distance) P-C4' energy: -103.181
flat angles C4'-P-C4' energy: -115.196
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -135.596
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: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1637.480964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.480964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.480964 (E_RNA)
where:
Base-Base interactions energy: -1125.521
where: short stacking energy: -505.499
Base-Backbone interact. energy: -1.307
local terms energy: -510.652161
where:
bonds (distance) C4'-P energy: -97.722
bonds (distance) P-C4' energy: -85.048
flat angles C4'-P-C4' energy: -114.953
flat angles P-C4'-P energy: -70.493
tors. eta vs tors. theta energy: -142.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1490.560782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.560782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.560782 (E_RNA)
where:
Base-Base interactions energy: -1005.398
where: short stacking energy: -448.761
Base-Backbone interact. energy: -3.331
local terms energy: -481.831427
where:
bonds (distance) C4'-P energy: -96.186
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -109.164
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -125.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1353.692687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.692687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.692687 (E_RNA)
where:
Base-Base interactions energy: -904.066
where: short stacking energy: -384.944
Base-Backbone interact. energy: 1.112
local terms energy: -450.739167
where:
bonds (distance) C4'-P energy: -84.864
bonds (distance) P-C4' energy: -100.935
flat angles C4'-P-C4' energy: -103.870
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -102.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1199.201105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.201105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.201105 (E_RNA)
where:
Base-Base interactions energy: -763.780
where: short stacking energy: -349.742
Base-Backbone interact. energy: 1.350
local terms energy: -436.770936
where:
bonds (distance) C4'-P energy: -87.915
bonds (distance) P-C4' energy: -104.330
flat angles C4'-P-C4' energy: -101.199
flat angles P-C4'-P energy: -65.293
tors. eta vs tors. theta energy: -78.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -917.577817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.577817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.577817 (E_RNA)
where:
Base-Base interactions energy: -582.944
where: short stacking energy: -258.853
Base-Backbone interact. energy: 7.113
local terms energy: -341.746787
where:
bonds (distance) C4'-P energy: -69.968
bonds (distance) P-C4' energy: -90.443
flat angles C4'-P-C4' energy: -93.560
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -35.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -455.586253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.586253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.586253 (E_RNA)
where:
Base-Base interactions energy: -165.477
where: short stacking energy: -127.813
Base-Backbone interact. energy: -2.264
local terms energy: -287.845382
where:
bonds (distance) C4'-P energy: -105.947
bonds (distance) P-C4' energy: -89.023
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: 25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1927.510767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.510767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.510767 (E_RNA)
where:
Base-Base interactions energy: -1319.861
where: short stacking energy: -569.952
Base-Backbone interact. energy: -2.354
local terms energy: -605.295645
where:
bonds (distance) C4'-P energy: -103.978
bonds (distance) P-C4' energy: -126.864
flat angles C4'-P-C4' energy: -110.126
flat angles P-C4'-P energy: -93.142
tors. eta vs tors. theta energy: -171.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1832.022764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.022764 (E_RNA)
where:
Base-Base interactions energy: -1277.091
where: short stacking energy: -559.889
Base-Backbone interact. energy: -2.487
local terms energy: -552.444685
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -110.717
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -76.409
tors. eta vs tors. theta energy: -161.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1738.461322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.461322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.461322 (E_RNA)
where:
Base-Base interactions energy: -1180.017
where: short stacking energy: -522.699
Base-Backbone interact. energy: -4.290
local terms energy: -554.154003
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -114.480
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -164.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1653.441992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.441992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.441992 (E_RNA)
where:
Base-Base interactions energy: -1124.208
where: short stacking energy: -503.304
Base-Backbone interact. energy: -2.135
local terms energy: -527.098680
where:
bonds (distance) C4'-P energy: -102.381
bonds (distance) P-C4' energy: -94.750
flat angles C4'-P-C4' energy: -108.596
flat angles P-C4'-P energy: -80.643
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1605.020778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.020778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.020778 (E_RNA)
where:
Base-Base interactions energy: -1082.749
where: short stacking energy: -473.564
Base-Backbone interact. energy: -0.042
local terms energy: -522.229590
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -105.878
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -79.197
tors. eta vs tors. theta energy: -132.474
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: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1508.132014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.132014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.132014 (E_RNA)
where:
Base-Base interactions energy: -1029.324
where: short stacking energy: -452.610
Base-Backbone interact. energy: -0.240
local terms energy: -478.567703
where:
bonds (distance) C4'-P energy: -87.590
bonds (distance) P-C4' energy: -92.642
flat angles C4'-P-C4' energy: -102.067
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -119.762
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1370.729932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.729932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.729932 (E_RNA)
where:
Base-Base interactions energy: -941.410
where: short stacking energy: -394.991
Base-Backbone interact. energy: -1.307
local terms energy: -428.012921
where:
bonds (distance) C4'-P energy: -83.491
bonds (distance) P-C4' energy: -81.439
flat angles C4'-P-C4' energy: -101.164
flat angles P-C4'-P energy: -63.612
tors. eta vs tors. theta energy: -98.307
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: 191
Temperature: 1.250000
Total energy: -1189.884082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.884082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.884082 (E_RNA)
where:
Base-Base interactions energy: -787.898
where: short stacking energy: -321.874
Base-Backbone interact. energy: -4.028
local terms energy: -397.957890
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -81.871
flat angles C4'-P-C4' energy: -104.126
flat angles P-C4'-P energy: -55.406
tors. eta vs tors. theta energy: -80.027
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: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -966.058340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.058340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.058340 (E_RNA)
where:
Base-Base interactions energy: -618.268
where: short stacking energy: -284.659
Base-Backbone interact. energy: 1.256
local terms energy: -349.046594
where:
bonds (distance) C4'-P energy: -84.972
bonds (distance) P-C4' energy: -88.045
flat angles C4'-P-C4' energy: -92.876
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -43.284
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -427.136130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.136130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.136130 (E_RNA)
where:
Base-Base interactions energy: -146.446
where: short stacking energy: -115.735
Base-Backbone interact. energy: 7.435
local terms energy: -288.125232
where:
bonds (distance) C4'-P energy: -91.311
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -61.061
flat angles P-C4'-P energy: -55.880
tors. eta vs tors. theta energy: 15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1928.097672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.097672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.097672 (E_RNA)
where:
Base-Base interactions energy: -1340.724
where: short stacking energy: -589.760
Base-Backbone interact. energy: 0.553
local terms energy: -587.926328
where:
bonds (distance) C4'-P energy: -99.346
bonds (distance) P-C4' energy: -102.170
flat angles C4'-P-C4' energy: -124.041
flat angles P-C4'-P energy: -88.653
tors. eta vs tors. theta energy: -173.716
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: 192
Temperature: 0.950000
Total energy: -1863.535716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.535716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.535716 (E_RNA)
where:
Base-Base interactions energy: -1279.029
where: short stacking energy: -555.274
Base-Backbone interact. energy: -1.573
local terms energy: -582.933695
where:
bonds (distance) C4'-P energy: -100.831
bonds (distance) P-C4' energy: -107.047
flat angles C4'-P-C4' energy: -123.570
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -161.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1716.877514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.877514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.877514 (E_RNA)
where:
Base-Base interactions energy: -1166.044
where: short stacking energy: -510.018
Base-Backbone interact. energy: 0.768
local terms energy: -551.601773
where:
bonds (distance) C4'-P energy: -106.624
bonds (distance) P-C4' energy: -100.879
flat angles C4'-P-C4' energy: -118.090
flat angles P-C4'-P energy: -78.982
tors. eta vs tors. theta energy: -147.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1699.216973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.216973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.216973 (E_RNA)
where:
Base-Base interactions energy: -1172.977
where: short stacking energy: -533.981
Base-Backbone interact. energy: -0.147
local terms energy: -526.092359
where:
bonds (distance) C4'-P energy: -99.332
bonds (distance) P-C4' energy: -94.923
flat angles C4'-P-C4' energy: -108.221
flat angles P-C4'-P energy: -71.103
tors. eta vs tors. theta energy: -152.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1589.300886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.300886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.300886 (E_RNA)
where:
Base-Base interactions energy: -1059.008
where: short stacking energy: -460.760
Base-Backbone interact. energy: -2.180
local terms energy: -528.113344
where:
bonds (distance) C4'-P energy: -89.206
bonds (distance) P-C4' energy: -112.323
flat angles C4'-P-C4' energy: -113.965
flat angles P-C4'-P energy: -64.929
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: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1491.612762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.612762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.612762 (E_RNA)
where:
Base-Base interactions energy: -1007.649
where: short stacking energy: -413.754
Base-Backbone interact. energy: -1.227
local terms energy: -482.736100
where:
bonds (distance) C4'-P energy: -92.035
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -99.779
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -118.412
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: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1345.518111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.518111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.518111 (E_RNA)
where:
Base-Base interactions energy: -909.454
where: short stacking energy: -393.695
Base-Backbone interact. energy: -2.049
local terms energy: -434.014638
where:
bonds (distance) C4'-P energy: -93.225
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -95.527
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -92.498
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: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1213.858156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.858156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.858156 (E_RNA)
where:
Base-Base interactions energy: -821.409
where: short stacking energy: -347.920
Base-Backbone interact. energy: -1.438
local terms energy: -391.011709
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -89.361
flat angles C4'-P-C4' energy: -99.927
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: -81.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -942.284955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.284955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.284955 (E_RNA)
where:
Base-Base interactions energy: -552.084
where: short stacking energy: -260.728
Base-Backbone interact. energy: -0.409
local terms energy: -389.791856
where:
bonds (distance) C4'-P energy: -99.996
bonds (distance) P-C4' energy: -82.594
flat angles C4'-P-C4' energy: -95.484
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -57.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -455.368131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.368131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.368131 (E_RNA)
where:
Base-Base interactions energy: -162.066
where: short stacking energy: -131.042
Base-Backbone interact. energy: -1.527
local terms energy: -291.775677
where:
bonds (distance) C4'-P energy: -95.617
bonds (distance) P-C4' energy: -97.417
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: 4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1880.069980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.069980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.069980 (E_RNA)
where:
Base-Base interactions energy: -1292.181
where: short stacking energy: -581.137
Base-Backbone interact. energy: 1.783
local terms energy: -589.672483
where:
bonds (distance) C4'-P energy: -101.635
bonds (distance) P-C4' energy: -107.892
flat angles C4'-P-C4' energy: -128.654
flat angles P-C4'-P energy: -77.225
tors. eta vs tors. theta energy: -174.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1824.460203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.460203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.460203 (E_RNA)
where:
Base-Base interactions energy: -1247.147
where: short stacking energy: -570.904
Base-Backbone interact. energy: -3.024
local terms energy: -574.289730
where:
bonds (distance) C4'-P energy: -104.588
bonds (distance) P-C4' energy: -106.638
flat angles C4'-P-C4' energy: -112.221
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -167.071
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: 193
Temperature: 1.000000
Total energy: -1701.021795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.021795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.021795 (E_RNA)
where:
Base-Base interactions energy: -1145.493
where: short stacking energy: -498.176
Base-Backbone interact. energy: 2.599
local terms energy: -558.128072
where:
bonds (distance) C4'-P energy: -109.803
bonds (distance) P-C4' energy: -111.451
flat angles C4'-P-C4' energy: -122.460
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -136.645
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: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1700.190419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.190419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.190419 (E_RNA)
where:
Base-Base interactions energy: -1144.291
where: short stacking energy: -529.734
Base-Backbone interact. energy: -2.037
local terms energy: -553.862207
where:
bonds (distance) C4'-P energy: -94.406
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -128.964
flat angles P-C4'-P energy: -87.534
tors. eta vs tors. theta energy: -151.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1580.938135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.938135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.938135 (E_RNA)
where:
Base-Base interactions energy: -1066.886
where: short stacking energy: -461.790
Base-Backbone interact. energy: -1.013
local terms energy: -513.038720
where:
bonds (distance) C4'-P energy: -108.125
bonds (distance) P-C4' energy: -90.251
flat angles C4'-P-C4' energy: -111.975
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -145.935
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: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1509.421917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.421917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.421917 (E_RNA)
where:
Base-Base interactions energy: -1010.498
where: short stacking energy: -450.114
Base-Backbone interact. energy: 0.188
local terms energy: -499.111700
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -94.341
flat angles C4'-P-C4' energy: -105.885
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -124.819
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1360.410125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.410125 (E_RNA)
where:
Base-Base interactions energy: -923.246
where: short stacking energy: -409.314
Base-Backbone interact. energy: 1.339
local terms energy: -438.503946
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -95.802
flat angles C4'-P-C4' energy: -103.932
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -109.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1230.592054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.592054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.592054 (E_RNA)
where:
Base-Base interactions energy: -831.311
where: short stacking energy: -347.915
Base-Backbone interact. energy: -0.253
local terms energy: -399.027224
where:
bonds (distance) C4'-P energy: -90.915
bonds (distance) P-C4' energy: -82.825
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1001.486842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.486842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.486842 (E_RNA)
where:
Base-Base interactions energy: -628.977
where: short stacking energy: -279.174
Base-Backbone interact. energy: -1.089
local terms energy: -371.420912
where:
bonds (distance) C4'-P energy: -81.485
bonds (distance) P-C4' energy: -95.374
flat angles C4'-P-C4' energy: -86.255
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: -51.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -454.156466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.156466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.156466 (E_RNA)
where:
Base-Base interactions energy: -170.713
where: short stacking energy: -109.305
Base-Backbone interact. energy: -2.812
local terms energy: -280.630781
where:
bonds (distance) C4'-P energy: -79.150
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -87.679
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: 25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1875.074774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.074774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.074774 (E_RNA)
where:
Base-Base interactions energy: -1290.748
where: short stacking energy: -580.588
Base-Backbone interact. energy: -2.648
local terms energy: -581.678736
where:
bonds (distance) C4'-P energy: -105.371
bonds (distance) P-C4' energy: -110.278
flat angles C4'-P-C4' energy: -116.531
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -170.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1797.188401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.188401 (E_RNA)
where:
Base-Base interactions energy: -1214.836
where: short stacking energy: -536.617
Base-Backbone interact. energy: -2.662
local terms energy: -579.690064
where:
bonds (distance) C4'-P energy: -111.571
bonds (distance) P-C4' energy: -113.407
flat angles C4'-P-C4' energy: -117.350
flat angles P-C4'-P energy: -78.172
tors. eta vs tors. theta energy: -159.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1742.922723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.922723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.922723 (E_RNA)
where:
Base-Base interactions energy: -1181.509
where: short stacking energy: -528.782
Base-Backbone interact. energy: -1.685
local terms energy: -559.728522
where:
bonds (distance) C4'-P energy: -111.003
bonds (distance) P-C4' energy: -103.651
flat angles C4'-P-C4' energy: -121.567
flat angles P-C4'-P energy: -68.483
tors. eta vs tors. theta energy: -155.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1683.144237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.144237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.144237 (E_RNA)
where:
Base-Base interactions energy: -1152.120
where: short stacking energy: -500.080
Base-Backbone interact. energy: 0.336
local terms energy: -531.359736
where:
bonds (distance) C4'-P energy: -101.071
bonds (distance) P-C4' energy: -97.392
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -77.443
tors. eta vs tors. theta energy: -139.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1572.363858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.363858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.363858 (E_RNA)
where:
Base-Base interactions energy: -1054.284
where: short stacking energy: -459.479
Base-Backbone interact. energy: -1.779
local terms energy: -516.301685
where:
bonds (distance) C4'-P energy: -93.830
bonds (distance) P-C4' energy: -106.431
flat angles C4'-P-C4' energy: -114.231
flat angles P-C4'-P energy: -60.863
tors. eta vs tors. theta energy: -140.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1491.724689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.724689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.724689 (E_RNA)
where:
Base-Base interactions energy: -990.526
where: short stacking energy: -435.031
Base-Backbone interact. energy: -1.586
local terms energy: -499.611813
where:
bonds (distance) C4'-P energy: -88.049
bonds (distance) P-C4' energy: -112.565
flat angles C4'-P-C4' energy: -110.164
flat angles P-C4'-P energy: -68.097
tors. eta vs tors. theta energy: -120.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1349.720984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.720984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.720984 (E_RNA)
where:
Base-Base interactions energy: -897.209
where: short stacking energy: -371.825
Base-Backbone interact. energy: 0.176
local terms energy: -452.687901
where:
bonds (distance) C4'-P energy: -102.985
bonds (distance) P-C4' energy: -101.784
flat angles C4'-P-C4' energy: -97.701
flat angles P-C4'-P energy: -49.181
tors. eta vs tors. theta energy: -101.037
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: 194
Temperature: 1.250000
Total energy: -1248.017109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.017109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.017109 (E_RNA)
where:
Base-Base interactions energy: -830.856
where: short stacking energy: -347.831
Base-Backbone interact. energy: -1.779
local terms energy: -415.381461
where:
bonds (distance) C4'-P energy: -85.994
bonds (distance) P-C4' energy: -93.374
flat angles C4'-P-C4' energy: -86.570
flat angles P-C4'-P energy: -56.151
tors. eta vs tors. theta energy: -93.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -960.614808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.614808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.614808 (E_RNA)
where:
Base-Base interactions energy: -613.528
where: short stacking energy: -295.999
Base-Backbone interact. energy: -3.755
local terms energy: -343.332647
where:
bonds (distance) C4'-P energy: -69.731
bonds (distance) P-C4' energy: -87.673
flat angles C4'-P-C4' energy: -88.237
flat angles P-C4'-P energy: -53.005
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: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -475.858137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.858137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.858137 (E_RNA)
where:
Base-Base interactions energy: -186.664
where: short stacking energy: -156.167
Base-Backbone interact. energy: -0.118
local terms energy: -289.076497
where:
bonds (distance) C4'-P energy: -101.714
bonds (distance) P-C4' energy: -76.759
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1886.213850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.213850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.213850 (E_RNA)
where:
Base-Base interactions energy: -1297.646
where: short stacking energy: -575.705
Base-Backbone interact. energy: -3.657
local terms energy: -584.910431
where:
bonds (distance) C4'-P energy: -97.005
bonds (distance) P-C4' energy: -109.002
flat angles C4'-P-C4' energy: -120.996
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -173.778
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: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1813.270117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.270117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.270117 (E_RNA)
where:
Base-Base interactions energy: -1229.974
where: short stacking energy: -543.380
Base-Backbone interact. energy: -3.445
local terms energy: -579.851262
where:
bonds (distance) C4'-P energy: -103.901
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -124.661
flat angles P-C4'-P energy: -81.037
tors. eta vs tors. theta energy: -168.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1746.563898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.563898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.563898 (E_RNA)
where:
Base-Base interactions energy: -1189.463
where: short stacking energy: -527.255
Base-Backbone interact. energy: -3.426
local terms energy: -553.674059
where:
bonds (distance) C4'-P energy: -97.202
bonds (distance) P-C4' energy: -105.959
flat angles C4'-P-C4' energy: -117.227
flat angles P-C4'-P energy: -77.501
tors. eta vs tors. theta energy: -155.785
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1678.320575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.320575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.320575 (E_RNA)
where:
Base-Base interactions energy: -1133.582
where: short stacking energy: -501.716
Base-Backbone interact. energy: -0.398
local terms energy: -544.341385
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -97.591
flat angles C4'-P-C4' energy: -120.351
flat angles P-C4'-P energy: -82.296
tors. eta vs tors. theta energy: -143.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1603.598504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.598504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.598504 (E_RNA)
where:
Base-Base interactions energy: -1075.798
where: short stacking energy: -482.926
Base-Backbone interact. energy: 1.579
local terms energy: -529.378711
where:
bonds (distance) C4'-P energy: -100.643
bonds (distance) P-C4' energy: -105.420
flat angles C4'-P-C4' energy: -119.185
flat angles P-C4'-P energy: -63.329
tors. eta vs tors. theta energy: -140.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1514.184204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.184204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.184204 (E_RNA)
where:
Base-Base interactions energy: -1016.524
where: short stacking energy: -439.072
Base-Backbone interact. energy: 2.538
local terms energy: -500.198567
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -117.508
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -120.774
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1390.525286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.525286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.525286 (E_RNA)
where:
Base-Base interactions energy: -949.335
where: short stacking energy: -420.127
Base-Backbone interact. energy: -2.328
local terms energy: -438.862934
where:
bonds (distance) C4'-P energy: -85.481
bonds (distance) P-C4' energy: -85.269
flat angles C4'-P-C4' energy: -92.744
flat angles P-C4'-P energy: -66.302
tors. eta vs tors. theta energy: -109.067
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: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1221.605621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.605621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.605621 (E_RNA)
where:
Base-Base interactions energy: -828.299
where: short stacking energy: -340.718
Base-Backbone interact. energy: -2.713
local terms energy: -390.593011
where:
bonds (distance) C4'-P energy: -86.295
bonds (distance) P-C4' energy: -98.267
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -75.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -967.567580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.567580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.567580 (E_RNA)
where:
Base-Base interactions energy: -590.530
where: short stacking energy: -250.119
Base-Backbone interact. energy: 1.162
local terms energy: -378.199915
where:
bonds (distance) C4'-P energy: -91.600
bonds (distance) P-C4' energy: -91.854
flat angles C4'-P-C4' energy: -101.883
flat angles P-C4'-P energy: -62.291
tors. eta vs tors. theta energy: -30.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -467.255204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.255204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.255204 (E_RNA)
where:
Base-Base interactions energy: -161.977
where: short stacking energy: -114.167
Base-Backbone interact. energy: 1.191
local terms energy: -306.468757
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -93.431
flat angles C4'-P-C4' energy: -90.590
flat angles P-C4'-P energy: -51.052
tors. eta vs tors. theta energy: 25.493
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: 196
Temperature: 0.900000
Total energy: -1880.928742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.928742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.928742 (E_RNA)
where:
Base-Base interactions energy: -1288.483
where: short stacking energy: -576.298
Base-Backbone interact. energy: -3.620
local terms energy: -588.825538
where:
bonds (distance) C4'-P energy: -109.730
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -113.257
flat angles P-C4'-P energy: -86.541
tors. eta vs tors. theta energy: -164.832
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1803.848146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.848146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.848146 (E_RNA)
where:
Base-Base interactions energy: -1223.301
where: short stacking energy: -552.449
Base-Backbone interact. energy: 1.473
local terms energy: -582.019754
where:
bonds (distance) C4'-P energy: -98.079
bonds (distance) P-C4' energy: -108.051
flat angles C4'-P-C4' energy: -123.730
flat angles P-C4'-P energy: -83.350
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: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1741.482381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.482381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.482381 (E_RNA)
where:
Base-Base interactions energy: -1195.332
where: short stacking energy: -536.699
Base-Backbone interact. energy: -1.267
local terms energy: -544.882946
where:
bonds (distance) C4'-P energy: -104.444
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -105.281
flat angles P-C4'-P energy: -76.472
tors. eta vs tors. theta energy: -154.808
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: 196
Temperature: 1.050000
Total energy: -1684.100574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.100574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.100574 (E_RNA)
where:
Base-Base interactions energy: -1141.484
where: short stacking energy: -510.022
Base-Backbone interact. energy: -1.554
local terms energy: -541.062585
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -101.742
flat angles C4'-P-C4' energy: -122.571
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -146.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1588.117622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.117622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.117622 (E_RNA)
where:
Base-Base interactions energy: -1086.291
where: short stacking energy: -489.676
Base-Backbone interact. energy: -0.511
local terms energy: -501.316040
where:
bonds (distance) C4'-P energy: -81.528
bonds (distance) P-C4' energy: -104.406
flat angles C4'-P-C4' energy: -107.522
flat angles P-C4'-P energy: -70.665
tors. eta vs tors. theta energy: -137.195
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1522.162624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.162624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.162624 (E_RNA)
where:
Base-Base interactions energy: -1029.088
where: short stacking energy: -457.003
Base-Backbone interact. energy: -2.167
local terms energy: -490.907211
where:
bonds (distance) C4'-P energy: -97.209
bonds (distance) P-C4' energy: -95.363
flat angles C4'-P-C4' energy: -99.175
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -123.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1455.707093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.707093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.707093 (E_RNA)
where:
Base-Base interactions energy: -984.601
where: short stacking energy: -427.127
Base-Backbone interact. energy: -1.062
local terms energy: -470.043827
where:
bonds (distance) C4'-P energy: -102.909
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -102.987
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: -113.318
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1210.858666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.858666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.858666 (E_RNA)
where:
Base-Base interactions energy: -815.419
where: short stacking energy: -343.663
Base-Backbone interact. energy: 2.655
local terms energy: -398.094769
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -89.958
flat angles C4'-P-C4' energy: -91.423
flat angles P-C4'-P energy: -56.497
tors. eta vs tors. theta energy: -81.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -919.973836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.973836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.973836 (E_RNA)
where:
Base-Base interactions energy: -574.665
where: short stacking energy: -257.965
Base-Backbone interact. energy: -3.464
local terms energy: -341.845378
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -91.049
flat angles C4'-P-C4' energy: -89.623
flat angles P-C4'-P energy: -45.487
tors. eta vs tors. theta energy: -35.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -548.391693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.391693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.391693 (E_RNA)
where:
Base-Base interactions energy: -239.896
where: short stacking energy: -144.397
Base-Backbone interact. energy: -0.361
local terms energy: -308.134288
where:
bonds (distance) C4'-P energy: -85.755
bonds (distance) P-C4' energy: -109.171
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -45.968
tors. eta vs tors. theta energy: 5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1866.079777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.079777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.079777 (E_RNA)
where:
Base-Base interactions energy: -1264.391
where: short stacking energy: -564.631
Base-Backbone interact. energy: -2.581
local terms energy: -599.108028
where:
bonds (distance) C4'-P energy: -102.765
bonds (distance) P-C4' energy: -117.938
flat angles C4'-P-C4' energy: -118.619
flat angles P-C4'-P energy: -85.902
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1807.447980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.447980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.447980 (E_RNA)
where:
Base-Base interactions energy: -1227.967
where: short stacking energy: -531.347
Base-Backbone interact. energy: -1.571
local terms energy: -577.909938
where:
bonds (distance) C4'-P energy: -108.339
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -123.803
flat angles P-C4'-P energy: -75.283
tors. eta vs tors. theta energy: -163.451
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1714.442991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.442991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.442991 (E_RNA)
where:
Base-Base interactions energy: -1159.497
where: short stacking energy: -511.234
Base-Backbone interact. energy: 0.539
local terms energy: -555.485282
where:
bonds (distance) C4'-P energy: -105.484
bonds (distance) P-C4' energy: -111.136
flat angles C4'-P-C4' energy: -116.016
flat angles P-C4'-P energy: -77.594
tors. eta vs tors. theta energy: -145.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1658.882734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.882734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.882734 (E_RNA)
where:
Base-Base interactions energy: -1112.881
where: short stacking energy: -490.554
Base-Backbone interact. energy: -3.851
local terms energy: -542.151297
where:
bonds (distance) C4'-P energy: -101.485
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -120.716
flat angles P-C4'-P energy: -71.468
tors. eta vs tors. theta energy: -150.541
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1609.121854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.121854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.121854 (E_RNA)
where:
Base-Base interactions energy: -1067.369
where: short stacking energy: -469.778
Base-Backbone interact. energy: -1.064
local terms energy: -540.688719
where:
bonds (distance) C4'-P energy: -104.142
bonds (distance) P-C4' energy: -113.315
flat angles C4'-P-C4' energy: -105.422
flat angles P-C4'-P energy: -70.031
tors. eta vs tors. theta energy: -147.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1533.451241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.451241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.451241 (E_RNA)
where:
Base-Base interactions energy: -1050.172
where: short stacking energy: -446.434
Base-Backbone interact. energy: -1.632
local terms energy: -481.647105
where:
bonds (distance) C4'-P energy: -99.151
bonds (distance) P-C4' energy: -104.354
flat angles C4'-P-C4' energy: -88.032
flat angles P-C4'-P energy: -64.648
tors. eta vs tors. theta energy: -125.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1459.936332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.936332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.936332 (E_RNA)
where:
Base-Base interactions energy: -1006.386
where: short stacking energy: -422.186
Base-Backbone interact. energy: 2.500
local terms energy: -456.050461
where:
bonds (distance) C4'-P energy: -76.024
bonds (distance) P-C4' energy: -95.358
flat angles C4'-P-C4' energy: -102.352
flat angles P-C4'-P energy: -60.170
tors. eta vs tors. theta energy: -122.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1198.772033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.772033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.772033 (E_RNA)
where:
Base-Base interactions energy: -789.783
where: short stacking energy: -335.101
Base-Backbone interact. energy: -2.460
local terms energy: -406.528681
where:
bonds (distance) C4'-P energy: -67.153
bonds (distance) P-C4' energy: -99.503
flat angles C4'-P-C4' energy: -93.483
flat angles P-C4'-P energy: -69.434
tors. eta vs tors. theta energy: -76.955
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: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -926.340600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.340600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.340600 (E_RNA)
where:
Base-Base interactions energy: -565.450
where: short stacking energy: -255.123
Base-Backbone interact. energy: 0.843
local terms energy: -361.732994
where:
bonds (distance) C4'-P energy: -108.854
bonds (distance) P-C4' energy: -92.803
flat angles C4'-P-C4' energy: -80.160
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -46.570
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: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -472.567582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.567582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.567582 (E_RNA)
where:
Base-Base interactions energy: -193.144
where: short stacking energy: -126.955
Base-Backbone interact. energy: -0.600
local terms energy: -278.824300
where:
bonds (distance) C4'-P energy: -83.706
bonds (distance) P-C4' energy: -83.577
flat angles C4'-P-C4' energy: -81.226
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: 11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1880.469150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.469150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.469150 (E_RNA)
where:
Base-Base interactions energy: -1271.549
where: short stacking energy: -558.869
Base-Backbone interact. energy: -2.783
local terms energy: -606.137053
where:
bonds (distance) C4'-P energy: -101.815
bonds (distance) P-C4' energy: -107.700
flat angles C4'-P-C4' energy: -131.444
flat angles P-C4'-P energy: -98.528
tors. eta vs tors. theta energy: -166.650
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: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1837.915399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.915399 (E_RNA)
where:
Base-Base interactions energy: -1243.728
where: short stacking energy: -547.243
Base-Backbone interact. energy: -2.055
local terms energy: -592.132953
where:
bonds (distance) C4'-P energy: -107.059
bonds (distance) P-C4' energy: -114.493
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -76.100
tors. eta vs tors. theta energy: -173.125
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: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1739.548328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.548328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.548328 (E_RNA)
where:
Base-Base interactions energy: -1181.370
where: short stacking energy: -534.936
Base-Backbone interact. energy: -0.700
local terms energy: -557.479011
where:
bonds (distance) C4'-P energy: -101.170
bonds (distance) P-C4' energy: -109.052
flat angles C4'-P-C4' energy: -125.563
flat angles P-C4'-P energy: -66.068
tors. eta vs tors. theta energy: -155.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1699.823176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.823176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.823176 (E_RNA)
where:
Base-Base interactions energy: -1174.968
where: short stacking energy: -506.219
Base-Backbone interact. energy: 0.118
local terms energy: -524.972780
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -107.022
flat angles C4'-P-C4' energy: -106.355
flat angles P-C4'-P energy: -69.916
tors. eta vs tors. theta energy: -149.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1599.073143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.073143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.073143 (E_RNA)
where:
Base-Base interactions energy: -1088.836
where: short stacking energy: -485.110
Base-Backbone interact. energy: -1.177
local terms energy: -509.060638
where:
bonds (distance) C4'-P energy: -95.675
bonds (distance) P-C4' energy: -99.476
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -138.615
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: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1509.217795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.217795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.217795 (E_RNA)
where:
Base-Base interactions energy: -1027.821
where: short stacking energy: -423.998
Base-Backbone interact. energy: -1.183
local terms energy: -480.214175
where:
bonds (distance) C4'-P energy: -90.527
bonds (distance) P-C4' energy: -97.418
flat angles C4'-P-C4' energy: -107.724
flat angles P-C4'-P energy: -73.532
tors. eta vs tors. theta energy: -111.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1450.900293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.900293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.900293 (E_RNA)
where:
Base-Base interactions energy: -977.236
where: short stacking energy: -426.908
Base-Backbone interact. energy: 0.459
local terms energy: -474.123686
where:
bonds (distance) C4'-P energy: -91.242
bonds (distance) P-C4' energy: -88.619
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -68.196
tors. eta vs tors. theta energy: -121.288
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: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1211.508292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.508292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.508292 (E_RNA)
where:
Base-Base interactions energy: -798.060
where: short stacking energy: -323.588
Base-Backbone interact. energy: -0.947
local terms energy: -412.500609
where:
bonds (distance) C4'-P energy: -85.826
bonds (distance) P-C4' energy: -95.217
flat angles C4'-P-C4' energy: -96.639
flat angles P-C4'-P energy: -62.253
tors. eta vs tors. theta energy: -72.566
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -911.844107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.844107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.844107 (E_RNA)
where:
Base-Base interactions energy: -549.809
where: short stacking energy: -238.367
Base-Backbone interact. energy: -0.327
local terms energy: -361.708451
where:
bonds (distance) C4'-P energy: -95.433
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -76.689
flat angles P-C4'-P energy: -59.113
tors. eta vs tors. theta energy: -36.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -486.156906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.156906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.156906 (E_RNA)
where:
Base-Base interactions energy: -211.920
where: short stacking energy: -139.694
Base-Backbone interact. energy: -0.789
local terms energy: -273.447860
where:
bonds (distance) C4'-P energy: -91.814
bonds (distance) P-C4' energy: -91.839
flat angles C4'-P-C4' energy: -70.544
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: 9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1874.469252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.469252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.469252 (E_RNA)
where:
Base-Base interactions energy: -1278.319
where: short stacking energy: -547.435
Base-Backbone interact. energy: -1.335
local terms energy: -594.815145
where:
bonds (distance) C4'-P energy: -104.591
bonds (distance) P-C4' energy: -113.580
flat angles C4'-P-C4' energy: -125.452
flat angles P-C4'-P energy: -88.138
tors. eta vs tors. theta energy: -163.054
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1833.810381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.810381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.810381 (E_RNA)
where:
Base-Base interactions energy: -1255.597
where: short stacking energy: -549.548
Base-Backbone interact. energy: -1.973
local terms energy: -576.240369
where:
bonds (distance) C4'-P energy: -105.062
bonds (distance) P-C4' energy: -109.471
flat angles C4'-P-C4' energy: -118.078
flat angles P-C4'-P energy: -82.510
tors. eta vs tors. theta energy: -161.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1725.830336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.830336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.830336 (E_RNA)
where:
Base-Base interactions energy: -1174.529
where: short stacking energy: -535.980
Base-Backbone interact. energy: -2.083
local terms energy: -549.218931
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -98.748
flat angles C4'-P-C4' energy: -116.726
flat angles P-C4'-P energy: -85.837
tors. eta vs tors. theta energy: -155.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1673.653217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.653217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.653217 (E_RNA)
where:
Base-Base interactions energy: -1150.333
where: short stacking energy: -508.434
Base-Backbone interact. energy: -0.242
local terms energy: -523.078244
where:
bonds (distance) C4'-P energy: -90.524
bonds (distance) P-C4' energy: -101.794
flat angles C4'-P-C4' energy: -114.957
flat angles P-C4'-P energy: -71.222
tors. eta vs tors. theta energy: -144.581
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: 199
Temperature: 1.100000
Total energy: -1568.989868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.989868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.989868 (E_RNA)
where:
Base-Base interactions energy: -1070.152
where: short stacking energy: -474.737
Base-Backbone interact. energy: -1.428
local terms energy: -497.409836
where:
bonds (distance) C4'-P energy: -87.783
bonds (distance) P-C4' energy: -102.284
flat angles C4'-P-C4' energy: -113.619
flat angles P-C4'-P energy: -63.321
tors. eta vs tors. theta energy: -130.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1529.698189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.698189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.698189 (E_RNA)
where:
Base-Base interactions energy: -1057.510
where: short stacking energy: -468.364
Base-Backbone interact. energy: 0.860
local terms energy: -473.047997
where:
bonds (distance) C4'-P energy: -94.189
bonds (distance) P-C4' energy: -67.745
flat angles C4'-P-C4' energy: -123.167
flat angles P-C4'-P energy: -54.648
tors. eta vs tors. theta energy: -133.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1395.316124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.316124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.316124 (E_RNA)
where:
Base-Base interactions energy: -942.095
where: short stacking energy: -397.984
Base-Backbone interact. energy: 1.616
local terms energy: -454.837477
where:
bonds (distance) C4'-P energy: -96.097
bonds (distance) P-C4' energy: -92.626
flat angles C4'-P-C4' energy: -96.504
flat angles P-C4'-P energy: -69.867
tors. eta vs tors. theta energy: -99.743
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: 199
Temperature: 1.250000
Total energy: -1174.797732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.797732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.797732 (E_RNA)
where:
Base-Base interactions energy: -748.084
where: short stacking energy: -321.128
Base-Backbone interact. energy: -2.327
local terms energy: -424.386764
where:
bonds (distance) C4'-P energy: -96.834
bonds (distance) P-C4' energy: -92.188
flat angles C4'-P-C4' energy: -95.575
flat angles P-C4'-P energy: -68.871
tors. eta vs tors. theta energy: -70.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -887.894515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.894515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.894515 (E_RNA)
where:
Base-Base interactions energy: -559.110
where: short stacking energy: -262.146
Base-Backbone interact. energy: 0.394
local terms energy: -329.179334
where:
bonds (distance) C4'-P energy: -63.288
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -87.841
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -28.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -493.575165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.575165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.575165 (E_RNA)
where:
Base-Base interactions energy: -214.314
where: short stacking energy: -132.437
Base-Backbone interact. energy: -2.210
local terms energy: -277.051131
where:
bonds (distance) C4'-P energy: -78.538
bonds (distance) P-C4' energy: -75.531
flat angles C4'-P-C4' energy: -88.637
flat angles P-C4'-P energy: -52.490
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: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1880.346688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.346688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.346688 (E_RNA)
where:
Base-Base interactions energy: -1278.274
where: short stacking energy: -579.618
Base-Backbone interact. energy: -3.491
local terms energy: -598.581367
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -113.583
flat angles C4'-P-C4' energy: -125.919
flat angles P-C4'-P energy: -83.646
tors. eta vs tors. theta energy: -173.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1814.205982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.205982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.205982 (E_RNA)
where:
Base-Base interactions energy: -1234.886
where: short stacking energy: -520.931
Base-Backbone interact. energy: -2.230
local terms energy: -577.089440
where:
bonds (distance) C4'-P energy: -116.913
bonds (distance) P-C4' energy: -98.545
flat angles C4'-P-C4' energy: -125.627
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -159.287
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: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1730.932575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.932575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.932575 (E_RNA)
where:
Base-Base interactions energy: -1203.408
where: short stacking energy: -532.583
Base-Backbone interact. energy: -1.055
local terms energy: -526.469524
where:
bonds (distance) C4'-P energy: -92.837
bonds (distance) P-C4' energy: -90.909
flat angles C4'-P-C4' energy: -114.424
flat angles P-C4'-P energy: -83.134
tors. eta vs tors. theta energy: -145.165
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: 200
Temperature: 1.050000
Total energy: -1696.034595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.034595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.034595 (E_RNA)
where:
Base-Base interactions energy: -1149.246
where: short stacking energy: -513.765
Base-Backbone interact. energy: -2.909
local terms energy: -543.880438
where:
bonds (distance) C4'-P energy: -93.083
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -123.655
flat angles P-C4'-P energy: -70.788
tors. eta vs tors. theta energy: -159.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1570.488009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.488009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.488009 (E_RNA)
where:
Base-Base interactions energy: -1062.562
where: short stacking energy: -436.788
Base-Backbone interact. energy: -3.555
local terms energy: -504.371459
where:
bonds (distance) C4'-P energy: -115.119
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -108.325
flat angles P-C4'-P energy: -61.581
tors. eta vs tors. theta energy: -122.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1497.584871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.584871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.584871 (E_RNA)
where:
Base-Base interactions energy: -1007.879
where: short stacking energy: -441.240
Base-Backbone interact. energy: -0.379
local terms energy: -489.326452
where:
bonds (distance) C4'-P energy: -102.065
bonds (distance) P-C4' energy: -90.006
flat angles C4'-P-C4' energy: -109.878
flat angles P-C4'-P energy: -69.514
tors. eta vs tors. theta energy: -117.863
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: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1372.505789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.505789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.505789 (E_RNA)
where:
Base-Base interactions energy: -923.114
where: short stacking energy: -395.647
Base-Backbone interact. energy: -2.599
local terms energy: -446.792783
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -86.357
flat angles C4'-P-C4' energy: -93.644
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -94.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1223.633712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.633712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.633712 (E_RNA)
where:
Base-Base interactions energy: -800.067
where: short stacking energy: -343.495
Base-Backbone interact. energy: 3.127
local terms energy: -426.693893
where:
bonds (distance) C4'-P energy: -86.185
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -100.188
flat angles P-C4'-P energy: -65.820
tors. eta vs tors. theta energy: -85.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -853.250805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.250805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.250805 (E_RNA)
where:
Base-Base interactions energy: -488.984
where: short stacking energy: -238.879
Base-Backbone interact. energy: -1.182
local terms energy: -363.084831
where:
bonds (distance) C4'-P energy: -102.245
bonds (distance) P-C4' energy: -89.270
flat angles C4'-P-C4' energy: -95.499
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -30.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -537.056355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.056355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.056355 (E_RNA)
where:
Base-Base interactions energy: -266.292
where: short stacking energy: -160.579
Base-Backbone interact. energy: 0.470
local terms energy: -271.235176
where:
bonds (distance) C4'-P energy: -94.931
bonds (distance) P-C4' energy: -85.587
flat angles C4'-P-C4' energy: -71.327
flat angles P-C4'-P energy: -30.026
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: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1881.249870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.249870 (E_RNA)
where:
Base-Base interactions energy: -1260.938
where: short stacking energy: -580.150
Base-Backbone interact. energy: -0.500
local terms energy: -619.811708
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -117.387
flat angles C4'-P-C4' energy: -132.299
flat angles P-C4'-P energy: -86.049
tors. eta vs tors. theta energy: -171.675
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: 201
Temperature: 0.950000
Total energy: -1848.758552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.758552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.758552 (E_RNA)
where:
Base-Base interactions energy: -1264.690
where: short stacking energy: -571.677
Base-Backbone interact. energy: -0.460
local terms energy: -583.608318
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -99.568
flat angles C4'-P-C4' energy: -120.692
flat angles P-C4'-P energy: -84.126
tors. eta vs tors. theta energy: -174.619
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: 201
Temperature: 1.000000
Total energy: -1727.755467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.755467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.755467 (E_RNA)
where:
Base-Base interactions energy: -1178.995
where: short stacking energy: -516.470
Base-Backbone interact. energy: -2.904
local terms energy: -545.856126
where:
bonds (distance) C4'-P energy: -99.470
bonds (distance) P-C4' energy: -104.554
flat angles C4'-P-C4' energy: -112.041
flat angles P-C4'-P energy: -84.246
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: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1676.109223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.109223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.109223 (E_RNA)
where:
Base-Base interactions energy: -1134.570
where: short stacking energy: -495.355
Base-Backbone interact. energy: -1.033
local terms energy: -540.506103
where:
bonds (distance) C4'-P energy: -106.528
bonds (distance) P-C4' energy: -100.713
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -83.151
tors. eta vs tors. theta energy: -140.735
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: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1606.439714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.439714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.439714 (E_RNA)
where:
Base-Base interactions energy: -1088.367
where: short stacking energy: -485.427
Base-Backbone interact. energy: 0.324
local terms energy: -518.396474
where:
bonds (distance) C4'-P energy: -92.137
bonds (distance) P-C4' energy: -107.028
flat angles C4'-P-C4' energy: -113.245
flat angles P-C4'-P energy: -68.896
tors. eta vs tors. theta energy: -137.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1489.030520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.030520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.030520 (E_RNA)
where:
Base-Base interactions energy: -1006.724
where: short stacking energy: -462.700
Base-Backbone interact. energy: 6.797
local terms energy: -489.103743
where:
bonds (distance) C4'-P energy: -98.060
bonds (distance) P-C4' energy: -87.722
flat angles C4'-P-C4' energy: -113.349
flat angles P-C4'-P energy: -64.367
tors. eta vs tors. theta energy: -125.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1428.907356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.907356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.907356 (E_RNA)
where:
Base-Base interactions energy: -978.528
where: short stacking energy: -392.014
Base-Backbone interact. energy: -2.391
local terms energy: -447.989024
where:
bonds (distance) C4'-P energy: -95.990
bonds (distance) P-C4' energy: -88.491
flat angles C4'-P-C4' energy: -96.395
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -97.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1203.529813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.529813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.529813 (E_RNA)
where:
Base-Base interactions energy: -794.750
where: short stacking energy: -344.777
Base-Backbone interact. energy: -0.697
local terms energy: -408.082743
where:
bonds (distance) C4'-P energy: -84.576
bonds (distance) P-C4' energy: -83.254
flat angles C4'-P-C4' energy: -102.359
flat angles P-C4'-P energy: -60.444
tors. eta vs tors. theta energy: -77.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -852.049785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.049785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.049785 (E_RNA)
where:
Base-Base interactions energy: -505.915
where: short stacking energy: -252.470
Base-Backbone interact. energy: -1.115
local terms energy: -345.020030
where:
bonds (distance) C4'-P energy: -87.016
bonds (distance) P-C4' energy: -91.955
flat angles C4'-P-C4' energy: -83.092
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -31.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -494.904933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.904933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.904933 (E_RNA)
where:
Base-Base interactions energy: -203.941
where: short stacking energy: -152.700
Base-Backbone interact. energy: 4.163
local terms energy: -295.127346
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -89.425
flat angles C4'-P-C4' energy: -80.480
flat angles P-C4'-P energy: -55.280
tors. eta vs tors. theta energy: 19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1869.260196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.260196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.260196 (E_RNA)
where:
Base-Base interactions energy: -1254.566
where: short stacking energy: -571.850
Base-Backbone interact. energy: -3.720
local terms energy: -610.974249
where:
bonds (distance) C4'-P energy: -118.504
bonds (distance) P-C4' energy: -110.887
flat angles C4'-P-C4' energy: -122.061
flat angles P-C4'-P energy: -87.943
tors. eta vs tors. theta energy: -171.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1835.542224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.542224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.542224 (E_RNA)
where:
Base-Base interactions energy: -1220.946
where: short stacking energy: -549.392
Base-Backbone interact. energy: -3.798
local terms energy: -610.798796
where:
bonds (distance) C4'-P energy: -111.200
bonds (distance) P-C4' energy: -115.819
flat angles C4'-P-C4' energy: -123.874
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -170.505
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: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1713.486718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.486718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.486718 (E_RNA)
where:
Base-Base interactions energy: -1153.369
where: short stacking energy: -515.330
Base-Backbone interact. energy: 1.022
local terms energy: -561.139650
where:
bonds (distance) C4'-P energy: -100.770
bonds (distance) P-C4' energy: -109.053
flat angles C4'-P-C4' energy: -123.455
flat angles P-C4'-P energy: -86.537
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: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1658.720562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.720562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.720562 (E_RNA)
where:
Base-Base interactions energy: -1149.905
where: short stacking energy: -492.611
Base-Backbone interact. energy: 1.250
local terms energy: -510.066003
where:
bonds (distance) C4'-P energy: -85.077
bonds (distance) P-C4' energy: -85.693
flat angles C4'-P-C4' energy: -121.338
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -143.712
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: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1617.339730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.339730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.339730 (E_RNA)
where:
Base-Base interactions energy: -1094.842
where: short stacking energy: -478.804
Base-Backbone interact. energy: 1.515
local terms energy: -524.012513
where:
bonds (distance) C4'-P energy: -101.814
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -123.521
flat angles P-C4'-P energy: -70.628
tors. eta vs tors. theta energy: -133.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1509.820733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.820733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.820733 (E_RNA)
where:
Base-Base interactions energy: -1029.537
where: short stacking energy: -452.701
Base-Backbone interact. energy: -1.975
local terms energy: -478.308725
where:
bonds (distance) C4'-P energy: -96.804
bonds (distance) P-C4' energy: -98.225
flat angles C4'-P-C4' energy: -102.447
flat angles P-C4'-P energy: -56.032
tors. eta vs tors. theta energy: -124.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1446.487553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.487553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.487553 (E_RNA)
where:
Base-Base interactions energy: -960.294
where: short stacking energy: -425.813
Base-Backbone interact. energy: 1.077
local terms energy: -487.270532
where:
bonds (distance) C4'-P energy: -77.462
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -107.463
flat angles P-C4'-P energy: -73.025
tors. eta vs tors. theta energy: -140.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1184.310133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.310133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.310133 (E_RNA)
where:
Base-Base interactions energy: -788.467
where: short stacking energy: -330.952
Base-Backbone interact. energy: -1.456
local terms energy: -394.387489
where:
bonds (distance) C4'-P energy: -81.724
bonds (distance) P-C4' energy: -80.546
flat angles C4'-P-C4' energy: -89.188
flat angles P-C4'-P energy: -66.865
tors. eta vs tors. theta energy: -76.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -867.691191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.691191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.691191 (E_RNA)
where:
Base-Base interactions energy: -514.855
where: short stacking energy: -242.928
Base-Backbone interact. energy: -1.843
local terms energy: -350.992938
where:
bonds (distance) C4'-P energy: -95.521
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -495.475811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.475811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.475811 (E_RNA)
where:
Base-Base interactions energy: -200.097
where: short stacking energy: -115.753
Base-Backbone interact. energy: -1.804
local terms energy: -293.574605
where:
bonds (distance) C4'-P energy: -94.259
bonds (distance) P-C4' energy: -93.390
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: 14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1872.426231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.426231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.426231 (E_RNA)
where:
Base-Base interactions energy: -1264.635
where: short stacking energy: -569.570
Base-Backbone interact. energy: -1.969
local terms energy: -605.822444
where:
bonds (distance) C4'-P energy: -109.550
bonds (distance) P-C4' energy: -111.826
flat angles C4'-P-C4' energy: -125.981
flat angles P-C4'-P energy: -87.732
tors. eta vs tors. theta energy: -170.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1809.574009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.574009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.574009 (E_RNA)
where:
Base-Base interactions energy: -1215.786
where: short stacking energy: -540.215
Base-Backbone interact. energy: -0.067
local terms energy: -593.721719
where:
bonds (distance) C4'-P energy: -111.509
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -128.833
flat angles P-C4'-P energy: -84.396
tors. eta vs tors. theta energy: -162.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1737.717378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.717378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.717378 (E_RNA)
where:
Base-Base interactions energy: -1208.317
where: short stacking energy: -532.851
Base-Backbone interact. energy: -0.916
local terms energy: -528.484761
where:
bonds (distance) C4'-P energy: -96.127
bonds (distance) P-C4' energy: -91.147
flat angles C4'-P-C4' energy: -114.948
flat angles P-C4'-P energy: -74.857
tors. eta vs tors. theta energy: -151.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1680.074470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.074470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.074470 (E_RNA)
where:
Base-Base interactions energy: -1154.983
where: short stacking energy: -524.087
Base-Backbone interact. energy: -2.235
local terms energy: -522.856128
where:
bonds (distance) C4'-P energy: -95.522
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -107.304
flat angles P-C4'-P energy: -65.813
tors. eta vs tors. theta energy: -153.665
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: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1651.617427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.617427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.617427 (E_RNA)
where:
Base-Base interactions energy: -1108.310
where: short stacking energy: -487.707
Base-Backbone interact. energy: -0.802
local terms energy: -542.505146
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -118.198
flat angles P-C4'-P energy: -74.487
tors. eta vs tors. theta energy: -157.385
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: 203
Temperature: 1.150000
Total energy: -1497.890847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.890847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.890847 (E_RNA)
where:
Base-Base interactions energy: -1014.633
where: short stacking energy: -457.169
Base-Backbone interact. energy: -0.010
local terms energy: -483.247700
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -96.111
flat angles C4'-P-C4' energy: -100.757
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -124.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1398.787989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.787989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.787989 (E_RNA)
where:
Base-Base interactions energy: -954.031
where: short stacking energy: -407.722
Base-Backbone interact. energy: -1.953
local terms energy: -442.804500
where:
bonds (distance) C4'-P energy: -73.415
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -98.427
flat angles P-C4'-P energy: -70.347
tors. eta vs tors. theta energy: -102.785
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: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1218.698194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.698194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.698194 (E_RNA)
where:
Base-Base interactions energy: -817.339
where: short stacking energy: -346.454
Base-Backbone interact. energy: 0.524
local terms energy: -401.882461
where:
bonds (distance) C4'-P energy: -75.352
bonds (distance) P-C4' energy: -97.916
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: -82.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -883.909346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.909346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.909346 (E_RNA)
where:
Base-Base interactions energy: -539.625
where: short stacking energy: -247.595
Base-Backbone interact. energy: -1.411
local terms energy: -342.873958
where:
bonds (distance) C4'-P energy: -86.618
bonds (distance) P-C4' energy: -98.779
flat angles C4'-P-C4' energy: -79.591
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -488.778895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.778895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.778895 (E_RNA)
where:
Base-Base interactions energy: -209.774
where: short stacking energy: -135.595
Base-Backbone interact. energy: 4.734
local terms energy: -283.739188
where:
bonds (distance) C4'-P energy: -84.562
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -67.387
flat angles P-C4'-P energy: -46.090
tors. eta vs tors. theta energy: 14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1888.339416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.339416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.339416 (E_RNA)
where:
Base-Base interactions energy: -1286.428
where: short stacking energy: -563.391
Base-Backbone interact. energy: -1.999
local terms energy: -599.912875
where:
bonds (distance) C4'-P energy: -111.930
bonds (distance) P-C4' energy: -109.460
flat angles C4'-P-C4' energy: -131.053
flat angles P-C4'-P energy: -78.467
tors. eta vs tors. theta energy: -169.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1789.470129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.470129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.470129 (E_RNA)
where:
Base-Base interactions energy: -1214.559
where: short stacking energy: -526.750
Base-Backbone interact. energy: 0.089
local terms energy: -575.000354
where:
bonds (distance) C4'-P energy: -114.764
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -81.243
tors. eta vs tors. theta energy: -156.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1770.545127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.545127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.545127 (E_RNA)
where:
Base-Base interactions energy: -1192.421
where: short stacking energy: -509.583
Base-Backbone interact. energy: 0.474
local terms energy: -578.597643
where:
bonds (distance) C4'-P energy: -101.230
bonds (distance) P-C4' energy: -114.594
flat angles C4'-P-C4' energy: -117.447
flat angles P-C4'-P energy: -93.442
tors. eta vs tors. theta energy: -151.885
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: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1694.835072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.835072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.835072 (E_RNA)
where:
Base-Base interactions energy: -1145.408
where: short stacking energy: -507.174
Base-Backbone interact. energy: -1.655
local terms energy: -547.772066
where:
bonds (distance) C4'-P energy: -94.639
bonds (distance) P-C4' energy: -97.826
flat angles C4'-P-C4' energy: -112.052
flat angles P-C4'-P energy: -83.297
tors. eta vs tors. theta energy: -159.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1600.374559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.374559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.374559 (E_RNA)
where:
Base-Base interactions energy: -1092.310
where: short stacking energy: -466.206
Base-Backbone interact. energy: -0.855
local terms energy: -507.209411
where:
bonds (distance) C4'-P energy: -93.273
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -120.372
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: -130.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1465.146897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.146897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.146897 (E_RNA)
where:
Base-Base interactions energy: -1003.268
where: short stacking energy: -434.778
Base-Backbone interact. energy: -0.796
local terms energy: -461.083653
where:
bonds (distance) C4'-P energy: -87.587
bonds (distance) P-C4' energy: -89.945
flat angles C4'-P-C4' energy: -112.878
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -115.543
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: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1363.556163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.556163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.556163 (E_RNA)
where:
Base-Base interactions energy: -935.623
where: short stacking energy: -405.256
Base-Backbone interact. energy: -1.065
local terms energy: -426.868257
where:
bonds (distance) C4'-P energy: -79.140
bonds (distance) P-C4' energy: -95.897
flat angles C4'-P-C4' energy: -85.605
flat angles P-C4'-P energy: -55.418
tors. eta vs tors. theta energy: -110.809
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1237.506158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.506158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.506158 (E_RNA)
where:
Base-Base interactions energy: -807.292
where: short stacking energy: -335.787
Base-Backbone interact. energy: -1.214
local terms energy: -428.999874
where:
bonds (distance) C4'-P energy: -96.870
bonds (distance) P-C4' energy: -78.079
flat angles C4'-P-C4' energy: -101.797
flat angles P-C4'-P energy: -77.416
tors. eta vs tors. theta energy: -74.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -863.215277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.215277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.215277 (E_RNA)
where:
Base-Base interactions energy: -507.039
where: short stacking energy: -246.900
Base-Backbone interact. energy: -0.868
local terms energy: -355.308447
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -95.907
flat angles C4'-P-C4' energy: -84.762
flat angles P-C4'-P energy: -50.223
tors. eta vs tors. theta energy: -31.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -548.221193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.221193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.221193 (E_RNA)
where:
Base-Base interactions energy: -248.129
where: short stacking energy: -144.938
Base-Backbone interact. energy: 1.050
local terms energy: -301.142189
where:
bonds (distance) C4'-P energy: -77.420
bonds (distance) P-C4' energy: -100.992
flat angles C4'-P-C4' energy: -68.449
flat angles P-C4'-P energy: -50.744
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1889.611285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.611285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.611285 (E_RNA)
where:
Base-Base interactions energy: -1298.565
where: short stacking energy: -574.519
Base-Backbone interact. energy: -1.174
local terms energy: -589.872380
where:
bonds (distance) C4'-P energy: -109.183
bonds (distance) P-C4' energy: -110.002
flat angles C4'-P-C4' energy: -120.810
flat angles P-C4'-P energy: -73.931
tors. eta vs tors. theta energy: -175.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1822.668988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.668988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.668988 (E_RNA)
where:
Base-Base interactions energy: -1244.491
where: short stacking energy: -549.493
Base-Backbone interact. energy: -1.849
local terms energy: -576.328259
where:
bonds (distance) C4'-P energy: -105.299
bonds (distance) P-C4' energy: -113.967
flat angles C4'-P-C4' energy: -120.245
flat angles P-C4'-P energy: -77.049
tors. eta vs tors. theta energy: -159.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1761.445542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.445542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.445542 (E_RNA)
where:
Base-Base interactions energy: -1210.615
where: short stacking energy: -522.424
Base-Backbone interact. energy: 0.305
local terms energy: -551.135523
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -109.954
flat angles C4'-P-C4' energy: -114.673
flat angles P-C4'-P energy: -73.927
tors. eta vs tors. theta energy: -155.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1644.090391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.090391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.090391 (E_RNA)
where:
Base-Base interactions energy: -1123.711
where: short stacking energy: -485.653
Base-Backbone interact. energy: -0.831
local terms energy: -519.547799
where:
bonds (distance) C4'-P energy: -104.310
bonds (distance) P-C4' energy: -102.741
flat angles C4'-P-C4' energy: -109.001
flat angles P-C4'-P energy: -54.714
tors. eta vs tors. theta energy: -148.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1649.917595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.917595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.917595 (E_RNA)
where:
Base-Base interactions energy: -1107.807
where: short stacking energy: -516.602
Base-Backbone interact. energy: 1.212
local terms energy: -543.321857
where:
bonds (distance) C4'-P energy: -86.031
bonds (distance) P-C4' energy: -96.499
flat angles C4'-P-C4' energy: -120.964
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -158.819
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: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1452.759579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.759579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.759579 (E_RNA)
where:
Base-Base interactions energy: -965.759
where: short stacking energy: -423.632
Base-Backbone interact. energy: -2.515
local terms energy: -484.485774
where:
bonds (distance) C4'-P energy: -97.279
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -101.426
flat angles P-C4'-P energy: -70.935
tors. eta vs tors. theta energy: -118.527
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1418.622513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.622513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.622513 (E_RNA)
where:
Base-Base interactions energy: -967.174
where: short stacking energy: -426.642
Base-Backbone interact. energy: -1.690
local terms energy: -449.759146
where:
bonds (distance) C4'-P energy: -92.320
bonds (distance) P-C4' energy: -86.271
flat angles C4'-P-C4' energy: -99.043
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -111.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1211.910612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.910612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.910612 (E_RNA)
where:
Base-Base interactions energy: -812.767
where: short stacking energy: -347.647
Base-Backbone interact. energy: -0.643
local terms energy: -398.500479
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -78.334
flat angles C4'-P-C4' energy: -96.655
flat angles P-C4'-P energy: -57.644
tors. eta vs tors. theta energy: -82.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -814.694296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.694296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.694296 (E_RNA)
where:
Base-Base interactions energy: -497.082
where: short stacking energy: -253.361
Base-Backbone interact. energy: -0.448
local terms energy: -317.164332
where:
bonds (distance) C4'-P energy: -91.088
bonds (distance) P-C4' energy: -73.777
flat angles C4'-P-C4' energy: -80.666
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -24.007
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -517.376745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.376745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.376745 (E_RNA)
where:
Base-Base interactions energy: -231.214
where: short stacking energy: -132.006
Base-Backbone interact. energy: 1.638
local terms energy: -287.801448
where:
bonds (distance) C4'-P energy: -98.568
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: 16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1888.417850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.417850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.417850 (E_RNA)
where:
Base-Base interactions energy: -1288.708
where: short stacking energy: -579.637
Base-Backbone interact. energy: -3.794
local terms energy: -595.916204
where:
bonds (distance) C4'-P energy: -107.991
bonds (distance) P-C4' energy: -115.346
flat angles C4'-P-C4' energy: -112.808
flat angles P-C4'-P energy: -91.590
tors. eta vs tors. theta energy: -168.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1809.448092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.448092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.448092 (E_RNA)
where:
Base-Base interactions energy: -1218.121
where: short stacking energy: -548.875
Base-Backbone interact. energy: -1.105
local terms energy: -590.221462
where:
bonds (distance) C4'-P energy: -104.884
bonds (distance) P-C4' energy: -109.694
flat angles C4'-P-C4' energy: -135.449
flat angles P-C4'-P energy: -83.833
tors. eta vs tors. theta energy: -156.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1730.040001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.040001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.040001 (E_RNA)
where:
Base-Base interactions energy: -1164.432
where: short stacking energy: -517.185
Base-Backbone interact. energy: -0.633
local terms energy: -564.975497
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -105.345
flat angles C4'-P-C4' energy: -122.139
flat angles P-C4'-P energy: -83.944
tors. eta vs tors. theta energy: -150.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1667.745326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.745326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.745326 (E_RNA)
where:
Base-Base interactions energy: -1139.795
where: short stacking energy: -519.602
Base-Backbone interact. energy: 0.379
local terms energy: -528.329319
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -101.069
flat angles C4'-P-C4' energy: -115.110
flat angles P-C4'-P energy: -80.447
tors. eta vs tors. theta energy: -140.522
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: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1588.557890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.557890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.557890 (E_RNA)
where:
Base-Base interactions energy: -1086.116
where: short stacking energy: -477.857
Base-Backbone interact. energy: -1.257
local terms energy: -501.184805
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -84.103
flat angles C4'-P-C4' energy: -109.405
flat angles P-C4'-P energy: -73.596
tors. eta vs tors. theta energy: -144.821
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: 206
Temperature: 1.150000
Total energy: -1440.232736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.232736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.232736 (E_RNA)
where:
Base-Base interactions energy: -963.728
where: short stacking energy: -409.208
Base-Backbone interact. energy: 1.325
local terms energy: -477.829729
where:
bonds (distance) C4'-P energy: -91.901
bonds (distance) P-C4' energy: -102.475
flat angles C4'-P-C4' energy: -99.424
flat angles P-C4'-P energy: -78.730
tors. eta vs tors. theta energy: -105.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1376.277252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.277252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.277252 (E_RNA)
where:
Base-Base interactions energy: -927.070
where: short stacking energy: -410.456
Base-Backbone interact. energy: -0.118
local terms energy: -449.089202
where:
bonds (distance) C4'-P energy: -93.432
bonds (distance) P-C4' energy: -88.809
flat angles C4'-P-C4' energy: -102.462
flat angles P-C4'-P energy: -61.565
tors. eta vs tors. theta energy: -102.820
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: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1215.584448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.584448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.584448 (E_RNA)
where:
Base-Base interactions energy: -801.671
where: short stacking energy: -347.620
Base-Backbone interact. energy: -1.879
local terms energy: -412.034022
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -82.161
flat angles C4'-P-C4' energy: -94.297
flat angles P-C4'-P energy: -70.294
tors. eta vs tors. theta energy: -79.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -779.223833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.223833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.223833 (E_RNA)
where:
Base-Base interactions energy: -470.768
where: short stacking energy: -248.425
Base-Backbone interact. energy: 10.915
local terms energy: -319.371682
where:
bonds (distance) C4'-P energy: -75.692
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: -32.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -492.115690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.115690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.115690 (E_RNA)
where:
Base-Base interactions energy: -202.946
where: short stacking energy: -120.368
Base-Backbone interact. energy: 1.432
local terms energy: -290.601304
where:
bonds (distance) C4'-P energy: -79.292
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -85.272
flat angles P-C4'-P energy: -52.686
tors. eta vs tors. theta energy: 16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1874.921155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.921155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.921155 (E_RNA)
where:
Base-Base interactions energy: -1273.250
where: short stacking energy: -562.245
Base-Backbone interact. energy: -1.861
local terms energy: -599.810302
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -113.144
flat angles C4'-P-C4' energy: -124.215
flat angles P-C4'-P energy: -85.848
tors. eta vs tors. theta energy: -168.174
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: 207
Temperature: 0.950000
Total energy: -1805.900023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.900023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.900023 (E_RNA)
where:
Base-Base interactions energy: -1220.741
where: short stacking energy: -531.218
Base-Backbone interact. energy: -0.305
local terms energy: -584.854716
where:
bonds (distance) C4'-P energy: -107.474
bonds (distance) P-C4' energy: -110.873
flat angles C4'-P-C4' energy: -129.013
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -161.382
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: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1716.996857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.996857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.996857 (E_RNA)
where:
Base-Base interactions energy: -1158.699
where: short stacking energy: -512.276
Base-Backbone interact. energy: 2.674
local terms energy: -560.971805
where:
bonds (distance) C4'-P energy: -101.059
bonds (distance) P-C4' energy: -108.488
flat angles C4'-P-C4' energy: -119.857
flat angles P-C4'-P energy: -75.830
tors. eta vs tors. theta energy: -155.738
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1669.501564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.501564 (E_RNA)
where:
Base-Base interactions energy: -1114.171
where: short stacking energy: -490.701
Base-Backbone interact. energy: -2.678
local terms energy: -552.652422
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -107.884
flat angles C4'-P-C4' energy: -120.733
flat angles P-C4'-P energy: -76.689
tors. eta vs tors. theta energy: -145.829
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: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1584.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.347606 (E_RNA)
where:
Base-Base interactions energy: -1063.504
where: short stacking energy: -484.003
Base-Backbone interact. energy: -1.812
local terms energy: -519.032207
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -107.721
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: -145.438
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: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1441.651361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.651361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.651361 (E_RNA)
where:
Base-Base interactions energy: -954.141
where: short stacking energy: -417.361
Base-Backbone interact. energy: 1.195
local terms energy: -488.705810
where:
bonds (distance) C4'-P energy: -107.288
bonds (distance) P-C4' energy: -92.124
flat angles C4'-P-C4' energy: -100.912
flat angles P-C4'-P energy: -69.432
tors. eta vs tors. theta energy: -118.950
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1412.462148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.462148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.462148 (E_RNA)
where:
Base-Base interactions energy: -951.250
where: short stacking energy: -404.719
Base-Backbone interact. energy: 2.773
local terms energy: -463.985802
where:
bonds (distance) C4'-P energy: -97.894
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -104.246
flat angles P-C4'-P energy: -68.375
tors. eta vs tors. theta energy: -101.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1181.912352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.912352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.912352 (E_RNA)
where:
Base-Base interactions energy: -770.780
where: short stacking energy: -325.519
Base-Backbone interact. energy: -2.507
local terms energy: -408.625125
where:
bonds (distance) C4'-P energy: -86.611
bonds (distance) P-C4' energy: -102.184
flat angles C4'-P-C4' energy: -91.836
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -66.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -761.678628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.678628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.678628 (E_RNA)
where:
Base-Base interactions energy: -439.982
where: short stacking energy: -220.109
Base-Backbone interact. energy: 2.840
local terms energy: -324.536038
where:
bonds (distance) C4'-P energy: -74.516
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -73.459
flat angles P-C4'-P energy: -69.476
tors. eta vs tors. theta energy: -25.224
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -477.421751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.421751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.421751 (E_RNA)
where:
Base-Base interactions energy: -194.497
where: short stacking energy: -129.018
Base-Backbone interact. energy: -2.932
local terms energy: -279.993054
where:
bonds (distance) C4'-P energy: -85.166
bonds (distance) P-C4' energy: -89.346
flat angles C4'-P-C4' energy: -75.190
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: 18.840
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: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1876.578723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.578723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.578723 (E_RNA)
where:
Base-Base interactions energy: -1272.196
where: short stacking energy: -562.892
Base-Backbone interact. energy: 0.701
local terms energy: -605.083300
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -114.801
flat angles C4'-P-C4' energy: -118.654
flat angles P-C4'-P energy: -91.263
tors. eta vs tors. theta energy: -173.982
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: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1794.719588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.719588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.719588 (E_RNA)
where:
Base-Base interactions energy: -1229.265
where: short stacking energy: -531.087
Base-Backbone interact. energy: 0.678
local terms energy: -566.132882
where:
bonds (distance) C4'-P energy: -102.774
bonds (distance) P-C4' energy: -112.853
flat angles C4'-P-C4' energy: -114.182
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -152.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1704.038891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.038891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.038891 (E_RNA)
where:
Base-Base interactions energy: -1135.318
where: short stacking energy: -523.616
Base-Backbone interact. energy: 0.413
local terms energy: -569.133837
where:
bonds (distance) C4'-P energy: -105.895
bonds (distance) P-C4' energy: -110.171
flat angles C4'-P-C4' energy: -116.030
flat angles P-C4'-P energy: -77.671
tors. eta vs tors. theta energy: -159.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1670.461906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.461906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.461906 (E_RNA)
where:
Base-Base interactions energy: -1150.258
where: short stacking energy: -498.051
Base-Backbone interact. energy: -1.482
local terms energy: -518.721445
where:
bonds (distance) C4'-P energy: -95.006
bonds (distance) P-C4' energy: -91.145
flat angles C4'-P-C4' energy: -106.685
flat angles P-C4'-P energy: -77.929
tors. eta vs tors. theta energy: -147.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1580.171220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.171220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.171220 (E_RNA)
where:
Base-Base interactions energy: -1091.335
where: short stacking energy: -482.135
Base-Backbone interact. energy: -0.807
local terms energy: -488.029285
where:
bonds (distance) C4'-P energy: -90.991
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -108.535
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -138.756
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1461.923834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.923834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.923834 (E_RNA)
where:
Base-Base interactions energy: -986.702
where: short stacking energy: -477.892
Base-Backbone interact. energy: -0.876
local terms energy: -474.345446
where:
bonds (distance) C4'-P energy: -97.820
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -102.631
flat angles P-C4'-P energy: -66.031
tors. eta vs tors. theta energy: -115.695
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: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1392.178145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.178145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.178145 (E_RNA)
where:
Base-Base interactions energy: -947.824
where: short stacking energy: -395.023
Base-Backbone interact. energy: -0.036
local terms energy: -444.318090
where:
bonds (distance) C4'-P energy: -80.561
bonds (distance) P-C4' energy: -86.954
flat angles C4'-P-C4' energy: -112.629
flat angles P-C4'-P energy: -64.744
tors. eta vs tors. theta energy: -99.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1313.304798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.304798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.304798 (E_RNA)
where:
Base-Base interactions energy: -875.111
where: short stacking energy: -395.699
Base-Backbone interact. energy: -1.432
local terms energy: -436.762363
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -100.623
flat angles P-C4'-P energy: -68.735
tors. eta vs tors. theta energy: -88.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -797.516928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.516928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.516928 (E_RNA)
where:
Base-Base interactions energy: -478.566
where: short stacking energy: -191.706
Base-Backbone interact. energy: -0.521
local terms energy: -318.430386
where:
bonds (distance) C4'-P energy: -101.199
bonds (distance) P-C4' energy: -81.407
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -444.238689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.238689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.238689 (E_RNA)
where:
Base-Base interactions energy: -168.838
where: short stacking energy: -139.929
Base-Backbone interact. energy: 1.871
local terms energy: -277.272391
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -79.182
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -37.601
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1880.364360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.364360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.364360 (E_RNA)
where:
Base-Base interactions energy: -1274.291
where: short stacking energy: -578.050
Base-Backbone interact. energy: -3.331
local terms energy: -602.743225
where:
bonds (distance) C4'-P energy: -98.803
bonds (distance) P-C4' energy: -112.498
flat angles C4'-P-C4' energy: -130.475
flat angles P-C4'-P energy: -86.449
tors. eta vs tors. theta energy: -174.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1773.537604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.537604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.537604 (E_RNA)
where:
Base-Base interactions energy: -1212.332
where: short stacking energy: -536.833
Base-Backbone interact. energy: -1.993
local terms energy: -559.212567
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -97.957
flat angles C4'-P-C4' energy: -124.954
flat angles P-C4'-P energy: -85.621
tors. eta vs tors. theta energy: -146.364
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: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1713.509493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.509493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.509493 (E_RNA)
where:
Base-Base interactions energy: -1162.284
where: short stacking energy: -523.665
Base-Backbone interact. energy: -3.031
local terms energy: -548.194856
where:
bonds (distance) C4'-P energy: -98.294
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -113.502
flat angles P-C4'-P energy: -71.082
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: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1676.841286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.841286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.841286 (E_RNA)
where:
Base-Base interactions energy: -1154.181
where: short stacking energy: -494.039
Base-Backbone interact. energy: 1.944
local terms energy: -524.604178
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -93.682
flat angles C4'-P-C4' energy: -116.086
flat angles P-C4'-P energy: -70.065
tors. eta vs tors. theta energy: -146.554
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: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1609.094162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.094162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.094162 (E_RNA)
where:
Base-Base interactions energy: -1083.509
where: short stacking energy: -460.018
Base-Backbone interact. energy: -3.987
local terms energy: -521.597454
where:
bonds (distance) C4'-P energy: -97.233
bonds (distance) P-C4' energy: -98.459
flat angles C4'-P-C4' energy: -108.972
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -139.747
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: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1461.554713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.554713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.554713 (E_RNA)
where:
Base-Base interactions energy: -981.201
where: short stacking energy: -445.919
Base-Backbone interact. energy: 1.660
local terms energy: -482.014289
where:
bonds (distance) C4'-P energy: -88.749
bonds (distance) P-C4' energy: -107.363
flat angles C4'-P-C4' energy: -105.991
flat angles P-C4'-P energy: -58.504
tors. eta vs tors. theta energy: -121.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1403.513686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.513686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.513686 (E_RNA)
where:
Base-Base interactions energy: -981.860
where: short stacking energy: -419.450
Base-Backbone interact. energy: -3.060
local terms energy: -418.594051
where:
bonds (distance) C4'-P energy: -72.890
bonds (distance) P-C4' energy: -96.640
flat angles C4'-P-C4' energy: -93.899
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: -94.583
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: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1240.727579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.727579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.727579 (E_RNA)
where:
Base-Base interactions energy: -827.531
where: short stacking energy: -367.827
Base-Backbone interact. energy: -1.415
local terms energy: -411.782042
where:
bonds (distance) C4'-P energy: -77.813
bonds (distance) P-C4' energy: -80.652
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -87.077
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: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -807.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.127121 (E_RNA)
where:
Base-Base interactions energy: -450.574
where: short stacking energy: -250.298
Base-Backbone interact. energy: 2.339
local terms energy: -358.892146
where:
bonds (distance) C4'-P energy: -92.954
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -82.640
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -33.760
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -425.109054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.109054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.109054 (E_RNA)
where:
Base-Base interactions energy: -162.424
where: short stacking energy: -125.776
Base-Backbone interact. energy: -2.026
local terms energy: -260.658567
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -68.168
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: 16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1901.829433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.829433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.829433 (E_RNA)
where:
Base-Base interactions energy: -1290.851
where: short stacking energy: -575.498
Base-Backbone interact. energy: -0.775
local terms energy: -610.203719
where:
bonds (distance) C4'-P energy: -110.090
bonds (distance) P-C4' energy: -108.150
flat angles C4'-P-C4' energy: -124.744
flat angles P-C4'-P energy: -90.302
tors. eta vs tors. theta energy: -176.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1810.288497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.288497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.288497 (E_RNA)
where:
Base-Base interactions energy: -1217.908
where: short stacking energy: -539.038
Base-Backbone interact. energy: -3.271
local terms energy: -589.110062
where:
bonds (distance) C4'-P energy: -111.747
bonds (distance) P-C4' energy: -101.202
flat angles C4'-P-C4' energy: -127.535
flat angles P-C4'-P energy: -90.612
tors. eta vs tors. theta energy: -158.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1726.874285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.874285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.874285 (E_RNA)
where:
Base-Base interactions energy: -1171.593
where: short stacking energy: -520.645
Base-Backbone interact. energy: -0.712
local terms energy: -554.569803
where:
bonds (distance) C4'-P energy: -86.572
bonds (distance) P-C4' energy: -114.944
flat angles C4'-P-C4' energy: -122.136
flat angles P-C4'-P energy: -81.613
tors. eta vs tors. theta energy: -149.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1684.990748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.990748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.990748 (E_RNA)
where:
Base-Base interactions energy: -1148.472
where: short stacking energy: -513.974
Base-Backbone interact. energy: -3.331
local terms energy: -533.187561
where:
bonds (distance) C4'-P energy: -91.581
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -116.794
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: -156.512
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: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1574.668819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.668819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.668819 (E_RNA)
where:
Base-Base interactions energy: -1061.124
where: short stacking energy: -446.544
Base-Backbone interact. energy: -2.303
local terms energy: -511.241991
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -135.863
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: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1477.442825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.442825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.442825 (E_RNA)
where:
Base-Base interactions energy: -992.243
where: short stacking energy: -431.738
Base-Backbone interact. energy: -0.035
local terms energy: -485.165009
where:
bonds (distance) C4'-P energy: -104.274
bonds (distance) P-C4' energy: -91.745
flat angles C4'-P-C4' energy: -100.495
flat angles P-C4'-P energy: -69.962
tors. eta vs tors. theta energy: -118.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1375.081805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.081805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.081805 (E_RNA)
where:
Base-Base interactions energy: -926.655
where: short stacking energy: -397.634
Base-Backbone interact. energy: 1.476
local terms energy: -449.902952
where:
bonds (distance) C4'-P energy: -98.237
bonds (distance) P-C4' energy: -98.635
flat angles C4'-P-C4' energy: -107.654
flat angles P-C4'-P energy: -43.187
tors. eta vs tors. theta energy: -102.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1211.429189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.429189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.429189 (E_RNA)
where:
Base-Base interactions energy: -801.108
where: short stacking energy: -332.848
Base-Backbone interact. energy: -0.697
local terms energy: -409.624392
where:
bonds (distance) C4'-P energy: -92.619
bonds (distance) P-C4' energy: -79.918
flat angles C4'-P-C4' energy: -91.369
flat angles P-C4'-P energy: -70.307
tors. eta vs tors. theta energy: -75.412
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -816.354336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.354336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.354336 (E_RNA)
where:
Base-Base interactions energy: -469.836
where: short stacking energy: -230.124
Base-Backbone interact. energy: 1.291
local terms energy: -347.809730
where:
bonds (distance) C4'-P energy: -90.279
bonds (distance) P-C4' energy: -80.382
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -53.329
tors. eta vs tors. theta energy: -32.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -446.956902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.956902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.956902 (E_RNA)
where:
Base-Base interactions energy: -193.103
where: short stacking energy: -136.084
Base-Backbone interact. energy: 3.590
local terms energy: -257.444083
where:
bonds (distance) C4'-P energy: -81.117
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -75.612
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: 26.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1858.886601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.886601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.886601 (E_RNA)
where:
Base-Base interactions energy: -1249.031
where: short stacking energy: -590.315
Base-Backbone interact. energy: -3.917
local terms energy: -605.939101
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -86.401
tors. eta vs tors. theta energy: -181.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1805.780420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.780420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.780420 (E_RNA)
where:
Base-Base interactions energy: -1229.068
where: short stacking energy: -545.358
Base-Backbone interact. energy: -1.929
local terms energy: -574.783330
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -127.856
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -156.804
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: 211
Temperature: 1.000000
Total energy: -1698.476687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.476687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.476687 (E_RNA)
where:
Base-Base interactions energy: -1154.192
where: short stacking energy: -500.907
Base-Backbone interact. energy: -2.566
local terms energy: -541.719200
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -99.016
flat angles C4'-P-C4' energy: -129.185
flat angles P-C4'-P energy: -70.019
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: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1675.177939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.177939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.177939 (E_RNA)
where:
Base-Base interactions energy: -1152.002
where: short stacking energy: -500.422
Base-Backbone interact. energy: -0.877
local terms energy: -522.298952
where:
bonds (distance) C4'-P energy: -86.324
bonds (distance) P-C4' energy: -103.495
flat angles C4'-P-C4' energy: -120.392
flat angles P-C4'-P energy: -70.947
tors. eta vs tors. theta energy: -141.141
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: 211
Temperature: 1.100000
Total energy: -1600.120715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.120715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.120715 (E_RNA)
where:
Base-Base interactions energy: -1064.638
where: short stacking energy: -449.127
Base-Backbone interact. energy: -4.252
local terms energy: -531.231173
where:
bonds (distance) C4'-P energy: -112.972
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -117.876
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -138.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1519.043700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.043700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.043700 (E_RNA)
where:
Base-Base interactions energy: -1007.115
where: short stacking energy: -430.407
Base-Backbone interact. energy: -2.141
local terms energy: -509.787341
where:
bonds (distance) C4'-P energy: -96.431
bonds (distance) P-C4' energy: -99.289
flat angles C4'-P-C4' energy: -113.096
flat angles P-C4'-P energy: -75.373
tors. eta vs tors. theta energy: -125.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1447.840970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.840970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.840970 (E_RNA)
where:
Base-Base interactions energy: -970.707
where: short stacking energy: -432.054
Base-Backbone interact. energy: 0.780
local terms energy: -477.913510
where:
bonds (distance) C4'-P energy: -96.521
bonds (distance) P-C4' energy: -97.506
flat angles C4'-P-C4' energy: -99.732
flat angles P-C4'-P energy: -68.705
tors. eta vs tors. theta energy: -115.449
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: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1137.299559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.299559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.299559 (E_RNA)
where:
Base-Base interactions energy: -719.367
where: short stacking energy: -316.786
Base-Backbone interact. energy: -2.020
local terms energy: -415.912612
where:
bonds (distance) C4'-P energy: -92.975
bonds (distance) P-C4' energy: -99.670
flat angles C4'-P-C4' energy: -98.364
flat angles P-C4'-P energy: -53.939
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -828.815228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.815228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.815228 (E_RNA)
where:
Base-Base interactions energy: -501.473
where: short stacking energy: -242.851
Base-Backbone interact. energy: 3.644
local terms energy: -330.986258
where:
bonds (distance) C4'-P energy: -89.968
bonds (distance) P-C4' energy: -88.908
flat angles C4'-P-C4' energy: -66.497
flat angles P-C4'-P energy: -61.642
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -423.774196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.774196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.774196 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -132.502
Base-Backbone interact. energy: -2.260
local terms energy: -260.738526
where:
bonds (distance) C4'-P energy: -78.266
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -62.287
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: 23.459
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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1847.404752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.404752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.404752 (E_RNA)
where:
Base-Base interactions energy: -1241.930
where: short stacking energy: -577.554
Base-Backbone interact. energy: -1.104
local terms energy: -604.370880
where:
bonds (distance) C4'-P energy: -107.243
bonds (distance) P-C4' energy: -111.375
flat angles C4'-P-C4' energy: -133.569
flat angles P-C4'-P energy: -79.858
tors. eta vs tors. theta energy: -172.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1780.787177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.787177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.787177 (E_RNA)
where:
Base-Base interactions energy: -1188.364
where: short stacking energy: -518.808
Base-Backbone interact. energy: -0.898
local terms energy: -591.525186
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -116.641
flat angles C4'-P-C4' energy: -126.558
flat angles P-C4'-P energy: -86.703
tors. eta vs tors. theta energy: -160.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1746.791504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.791504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.791504 (E_RNA)
where:
Base-Base interactions energy: -1195.861
where: short stacking energy: -534.590
Base-Backbone interact. energy: -0.923
local terms energy: -550.007248
where:
bonds (distance) C4'-P energy: -90.071
bonds (distance) P-C4' energy: -112.552
flat angles C4'-P-C4' energy: -114.083
flat angles P-C4'-P energy: -75.947
tors. eta vs tors. theta energy: -157.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1680.115277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.115277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.115277 (E_RNA)
where:
Base-Base interactions energy: -1162.838
where: short stacking energy: -498.908
Base-Backbone interact. energy: -0.956
local terms energy: -516.320951
where:
bonds (distance) C4'-P energy: -81.541
bonds (distance) P-C4' energy: -105.167
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -71.345
tors. eta vs tors. theta energy: -144.795
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: 212
Temperature: 1.100000
Total energy: -1586.667794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.667794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.667794 (E_RNA)
where:
Base-Base interactions energy: -1081.119
where: short stacking energy: -493.721
Base-Backbone interact. energy: -2.178
local terms energy: -503.370907
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -84.854
flat angles C4'-P-C4' energy: -103.427
flat angles P-C4'-P energy: -79.031
tors. eta vs tors. theta energy: -129.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1497.395489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.395489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.395489 (E_RNA)
where:
Base-Base interactions energy: -985.382
where: short stacking energy: -419.160
Base-Backbone interact. energy: -0.339
local terms energy: -511.674847
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -111.221
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -118.839
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1390.296412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.296412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.296412 (E_RNA)
where:
Base-Base interactions energy: -952.101
where: short stacking energy: -414.359
Base-Backbone interact. energy: -1.074
local terms energy: -437.121565
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -95.773
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -64.980
tors. eta vs tors. theta energy: -94.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1164.559107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.559107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.559107 (E_RNA)
where:
Base-Base interactions energy: -731.799
where: short stacking energy: -326.561
Base-Backbone interact. energy: 1.609
local terms energy: -434.369432
where:
bonds (distance) C4'-P energy: -89.927
bonds (distance) P-C4' energy: -107.362
flat angles C4'-P-C4' energy: -89.796
flat angles P-C4'-P energy: -59.260
tors. eta vs tors. theta energy: -88.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -812.190023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.190023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.190023 (E_RNA)
where:
Base-Base interactions energy: -480.795
where: short stacking energy: -215.269
Base-Backbone interact. energy: 2.376
local terms energy: -333.771248
where:
bonds (distance) C4'-P energy: -75.225
bonds (distance) P-C4' energy: -85.104
flat angles C4'-P-C4' energy: -90.465
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -31.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -431.189092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.189092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.189092 (E_RNA)
where:
Base-Base interactions energy: -162.781
where: short stacking energy: -130.588
Base-Backbone interact. energy: -4.596
local terms energy: -263.812063
where:
bonds (distance) C4'-P energy: -69.032
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -73.752
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: 19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1863.035810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.035810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.035810 (E_RNA)
where:
Base-Base interactions energy: -1240.272
where: short stacking energy: -582.272
Base-Backbone interact. energy: -0.044
local terms energy: -622.719649
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -116.484
flat angles C4'-P-C4' energy: -121.935
flat angles P-C4'-P energy: -90.216
tors. eta vs tors. theta energy: -180.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1789.414524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.414524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.414524 (E_RNA)
where:
Base-Base interactions energy: -1215.259
where: short stacking energy: -544.212
Base-Backbone interact. energy: 1.510
local terms energy: -575.665512
where:
bonds (distance) C4'-P energy: -100.703
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -127.587
flat angles P-C4'-P energy: -79.589
tors. eta vs tors. theta energy: -154.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1735.922079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.922079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.922079 (E_RNA)
where:
Base-Base interactions energy: -1186.274
where: short stacking energy: -516.095
Base-Backbone interact. energy: -0.016
local terms energy: -549.631685
where:
bonds (distance) C4'-P energy: -102.638
bonds (distance) P-C4' energy: -99.639
flat angles C4'-P-C4' energy: -115.361
flat angles P-C4'-P energy: -87.287
tors. eta vs tors. theta energy: -144.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1684.694671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.694671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.694671 (E_RNA)
where:
Base-Base interactions energy: -1140.575
where: short stacking energy: -491.314
Base-Backbone interact. energy: -4.714
local terms energy: -539.405132
where:
bonds (distance) C4'-P energy: -109.592
bonds (distance) P-C4' energy: -104.501
flat angles C4'-P-C4' energy: -112.264
flat angles P-C4'-P energy: -77.448
tors. eta vs tors. theta energy: -135.601
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: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1600.533117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.533117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.533117 (E_RNA)
where:
Base-Base interactions energy: -1084.851
where: short stacking energy: -469.940
Base-Backbone interact. energy: -0.948
local terms energy: -514.733572
where:
bonds (distance) C4'-P energy: -104.120
bonds (distance) P-C4' energy: -98.024
flat angles C4'-P-C4' energy: -101.386
flat angles P-C4'-P energy: -72.855
tors. eta vs tors. theta energy: -138.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1484.527692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.527692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.527692 (E_RNA)
where:
Base-Base interactions energy: -997.943
where: short stacking energy: -437.977
Base-Backbone interact. energy: -0.222
local terms energy: -486.362938
where:
bonds (distance) C4'-P energy: -86.489
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -63.146
tors. eta vs tors. theta energy: -117.597
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1368.175712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.175712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.175712 (E_RNA)
where:
Base-Base interactions energy: -928.333
where: short stacking energy: -402.137
Base-Backbone interact. energy: -2.182
local terms energy: -437.661387
where:
bonds (distance) C4'-P energy: -88.195
bonds (distance) P-C4' energy: -83.177
flat angles C4'-P-C4' energy: -103.962
flat angles P-C4'-P energy: -69.780
tors. eta vs tors. theta energy: -92.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1270.533968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.533968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.533968 (E_RNA)
where:
Base-Base interactions energy: -847.862
where: short stacking energy: -386.980
Base-Backbone interact. energy: 1.304
local terms energy: -423.975524
where:
bonds (distance) C4'-P energy: -89.771
bonds (distance) P-C4' energy: -79.255
flat angles C4'-P-C4' energy: -92.080
flat angles P-C4'-P energy: -64.006
tors. eta vs tors. theta energy: -98.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -838.834078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.834078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.834078 (E_RNA)
where:
Base-Base interactions energy: -518.559
where: short stacking energy: -246.259
Base-Backbone interact. energy: 5.194
local terms energy: -325.469522
where:
bonds (distance) C4'-P energy: -74.860
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -72.194
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -30.687
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -428.051023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.051023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.051023 (E_RNA)
where:
Base-Base interactions energy: -146.527
where: short stacking energy: -108.265
Base-Backbone interact. energy: 2.670
local terms energy: -284.193854
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -93.984
flat angles C4'-P-C4' energy: -83.578
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: 30.561
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: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1815.819283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.819283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.819283 (E_RNA)
where:
Base-Base interactions energy: -1236.959
where: short stacking energy: -592.586
Base-Backbone interact. energy: -1.349
local terms energy: -577.511282
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -100.406
flat angles C4'-P-C4' energy: -116.040
flat angles P-C4'-P energy: -83.323
tors. eta vs tors. theta energy: -167.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1836.169564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.169564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.169564 (E_RNA)
where:
Base-Base interactions energy: -1238.989
where: short stacking energy: -570.642
Base-Backbone interact. energy: -2.616
local terms energy: -594.564296
where:
bonds (distance) C4'-P energy: -99.797
bonds (distance) P-C4' energy: -106.146
flat angles C4'-P-C4' energy: -128.092
flat angles P-C4'-P energy: -83.488
tors. eta vs tors. theta energy: -177.041
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: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1733.590543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.590543 (E_RNA)
where:
Base-Base interactions energy: -1172.776
where: short stacking energy: -531.679
Base-Backbone interact. energy: -3.153
local terms energy: -557.661725
where:
bonds (distance) C4'-P energy: -92.672
bonds (distance) P-C4' energy: -111.577
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -159.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1672.660825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.660825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.660825 (E_RNA)
where:
Base-Base interactions energy: -1155.437
where: short stacking energy: -517.351
Base-Backbone interact. energy: -0.620
local terms energy: -516.603539
where:
bonds (distance) C4'-P energy: -101.468
bonds (distance) P-C4' energy: -93.668
flat angles C4'-P-C4' energy: -107.277
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -144.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1588.890370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.890370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.890370 (E_RNA)
where:
Base-Base interactions energy: -1082.038
where: short stacking energy: -505.858
Base-Backbone interact. energy: 1.335
local terms energy: -508.187726
where:
bonds (distance) C4'-P energy: -76.517
bonds (distance) P-C4' energy: -107.159
flat angles C4'-P-C4' energy: -121.439
flat angles P-C4'-P energy: -64.935
tors. eta vs tors. theta energy: -138.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1453.147572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.147572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.147572 (E_RNA)
where:
Base-Base interactions energy: -947.258
where: short stacking energy: -403.406
Base-Backbone interact. energy: -0.416
local terms energy: -505.473763
where:
bonds (distance) C4'-P energy: -105.138
bonds (distance) P-C4' energy: -110.009
flat angles C4'-P-C4' energy: -109.878
flat angles P-C4'-P energy: -67.185
tors. eta vs tors. theta energy: -113.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1408.024237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.024237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.024237 (E_RNA)
where:
Base-Base interactions energy: -987.116
where: short stacking energy: -415.987
Base-Backbone interact. energy: -1.917
local terms energy: -418.991007
where:
bonds (distance) C4'-P energy: -80.542
bonds (distance) P-C4' energy: -70.943
flat angles C4'-P-C4' energy: -93.803
flat angles P-C4'-P energy: -66.679
tors. eta vs tors. theta energy: -107.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1207.601044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.601044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.601044 (E_RNA)
where:
Base-Base interactions energy: -825.829
where: short stacking energy: -346.031
Base-Backbone interact. energy: 0.514
local terms energy: -382.285864
where:
bonds (distance) C4'-P energy: -64.698
bonds (distance) P-C4' energy: -87.514
flat angles C4'-P-C4' energy: -95.479
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -82.516
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -812.601386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.601386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.601386 (E_RNA)
where:
Base-Base interactions energy: -467.281
where: short stacking energy: -243.084
Base-Backbone interact. energy: -3.739
local terms energy: -341.580652
where:
bonds (distance) C4'-P energy: -76.845
bonds (distance) P-C4' energy: -91.213
flat angles C4'-P-C4' energy: -84.587
flat angles P-C4'-P energy: -58.111
tors. eta vs tors. theta energy: -30.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -425.902275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.902275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.902275 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -120.797
Base-Backbone interact. energy: 3.060
local terms energy: -297.373406
where:
bonds (distance) C4'-P energy: -84.445
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -67.743
flat angles P-C4'-P energy: -56.144
tors. eta vs tors. theta energy: 8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1844.407937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.407937 (E_RNA)
where:
Base-Base interactions energy: -1240.450
where: short stacking energy: -565.779
Base-Backbone interact. energy: -1.870
local terms energy: -602.087705
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -121.764
flat angles C4'-P-C4' energy: -126.677
flat angles P-C4'-P energy: -80.289
tors. eta vs tors. theta energy: -166.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1825.015756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.015756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.015756 (E_RNA)
where:
Base-Base interactions energy: -1229.661
where: short stacking energy: -555.321
Base-Backbone interact. energy: -0.070
local terms energy: -595.284884
where:
bonds (distance) C4'-P energy: -116.026
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -127.014
flat angles P-C4'-P energy: -74.125
tors. eta vs tors. theta energy: -165.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1750.500155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.500155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.500155 (E_RNA)
where:
Base-Base interactions energy: -1195.812
where: short stacking energy: -523.085
Base-Backbone interact. energy: -2.502
local terms energy: -552.185974
where:
bonds (distance) C4'-P energy: -109.569
bonds (distance) P-C4' energy: -97.040
flat angles C4'-P-C4' energy: -113.598
flat angles P-C4'-P energy: -90.289
tors. eta vs tors. theta energy: -141.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1675.069802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.069802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.069802 (E_RNA)
where:
Base-Base interactions energy: -1163.264
where: short stacking energy: -515.194
Base-Backbone interact. energy: -1.270
local terms energy: -510.535964
where:
bonds (distance) C4'-P energy: -94.081
bonds (distance) P-C4' energy: -87.142
flat angles C4'-P-C4' energy: -115.574
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -141.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1569.198628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.198628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.198628 (E_RNA)
where:
Base-Base interactions energy: -1057.111
where: short stacking energy: -463.012
Base-Backbone interact. energy: -2.378
local terms energy: -509.709397
where:
bonds (distance) C4'-P energy: -95.771
bonds (distance) P-C4' energy: -99.648
flat angles C4'-P-C4' energy: -108.802
flat angles P-C4'-P energy: -65.861
tors. eta vs tors. theta energy: -139.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1415.487950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.487950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.487950 (E_RNA)
where:
Base-Base interactions energy: -938.560
where: short stacking energy: -396.829
Base-Backbone interact. energy: -2.130
local terms energy: -474.797466
where:
bonds (distance) C4'-P energy: -101.169
bonds (distance) P-C4' energy: -85.130
flat angles C4'-P-C4' energy: -117.037
flat angles P-C4'-P energy: -58.860
tors. eta vs tors. theta energy: -112.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1404.226371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.226371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.226371 (E_RNA)
where:
Base-Base interactions energy: -944.903
where: short stacking energy: -420.148
Base-Backbone interact. energy: -4.701
local terms energy: -454.623332
where:
bonds (distance) C4'-P energy: -99.127
bonds (distance) P-C4' energy: -76.621
flat angles C4'-P-C4' energy: -98.938
flat angles P-C4'-P energy: -68.153
tors. eta vs tors. theta energy: -111.783
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1219.886181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.886181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.886181 (E_RNA)
where:
Base-Base interactions energy: -794.133
where: short stacking energy: -362.204
Base-Backbone interact. energy: 1.478
local terms energy: -427.231514
where:
bonds (distance) C4'-P energy: -95.974
bonds (distance) P-C4' energy: -88.135
flat angles C4'-P-C4' energy: -88.634
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -839.690207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.690207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.690207 (E_RNA)
where:
Base-Base interactions energy: -495.156
where: short stacking energy: -237.293
Base-Backbone interact. energy: -5.959
local terms energy: -338.575620
where:
bonds (distance) C4'-P energy: -94.013
bonds (distance) P-C4' energy: -85.125
flat angles C4'-P-C4' energy: -86.033
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -445.662750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.662750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.662750 (E_RNA)
where:
Base-Base interactions energy: -177.210
where: short stacking energy: -143.337
Base-Backbone interact. energy: -0.414
local terms energy: -268.038100
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -87.171
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: 9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1844.351572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.351572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.351572 (E_RNA)
where:
Base-Base interactions energy: -1253.035
where: short stacking energy: -584.590
Base-Backbone interact. energy: -2.318
local terms energy: -588.998036
where:
bonds (distance) C4'-P energy: -93.349
bonds (distance) P-C4' energy: -114.272
flat angles C4'-P-C4' energy: -121.928
flat angles P-C4'-P energy: -91.383
tors. eta vs tors. theta energy: -168.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1828.368293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.368293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.368293 (E_RNA)
where:
Base-Base interactions energy: -1241.106
where: short stacking energy: -572.622
Base-Backbone interact. energy: -0.485
local terms energy: -586.776544
where:
bonds (distance) C4'-P energy: -102.835
bonds (distance) P-C4' energy: -109.064
flat angles C4'-P-C4' energy: -126.042
flat angles P-C4'-P energy: -84.424
tors. eta vs tors. theta energy: -164.411
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: 216
Temperature: 1.000000
Total energy: -1739.603474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.603474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.603474 (E_RNA)
where:
Base-Base interactions energy: -1200.839
where: short stacking energy: -509.508
Base-Backbone interact. energy: -1.756
local terms energy: -537.008792
where:
bonds (distance) C4'-P energy: -104.845
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -111.400
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -146.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1614.846431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.846431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.846431 (E_RNA)
where:
Base-Base interactions energy: -1079.321
where: short stacking energy: -489.924
Base-Backbone interact. energy: -0.570
local terms energy: -534.955297
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -93.056
flat angles C4'-P-C4' energy: -119.094
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -138.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1564.652780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.652780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.652780 (E_RNA)
where:
Base-Base interactions energy: -1062.011
where: short stacking energy: -482.649
Base-Backbone interact. energy: 0.749
local terms energy: -503.390190
where:
bonds (distance) C4'-P energy: -113.717
bonds (distance) P-C4' energy: -89.282
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -63.232
tors. eta vs tors. theta energy: -131.176
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: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1486.298534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.298534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.298534 (E_RNA)
where:
Base-Base interactions energy: -992.042
where: short stacking energy: -431.355
Base-Backbone interact. energy: -1.977
local terms energy: -492.279829
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -101.560
flat angles C4'-P-C4' energy: -101.846
flat angles P-C4'-P energy: -78.721
tors. eta vs tors. theta energy: -119.048
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: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1404.496302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.496302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.496302 (E_RNA)
where:
Base-Base interactions energy: -953.198
where: short stacking energy: -415.846
Base-Backbone interact. energy: 5.340
local terms energy: -456.639070
where:
bonds (distance) C4'-P energy: -98.030
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -96.261
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -112.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1149.095194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.095194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.095194 (E_RNA)
where:
Base-Base interactions energy: -749.751
where: short stacking energy: -329.839
Base-Backbone interact. energy: -3.539
local terms energy: -395.804498
where:
bonds (distance) C4'-P energy: -85.243
bonds (distance) P-C4' energy: -89.583
flat angles C4'-P-C4' energy: -83.393
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -86.509
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -852.198558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.198558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.198558 (E_RNA)
where:
Base-Base interactions energy: -520.411
where: short stacking energy: -255.764
Base-Backbone interact. energy: 2.752
local terms energy: -334.539043
where:
bonds (distance) C4'-P energy: -70.868
bonds (distance) P-C4' energy: -107.730
flat angles C4'-P-C4' energy: -86.733
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -26.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -469.494958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.494958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.494958 (E_RNA)
where:
Base-Base interactions energy: -206.057
where: short stacking energy: -160.801
Base-Backbone interact. energy: 2.691
local terms energy: -266.128948
where:
bonds (distance) C4'-P energy: -87.292
bonds (distance) P-C4' energy: -84.746
flat angles C4'-P-C4' energy: -66.009
flat angles P-C4'-P energy: -43.533
tors. eta vs tors. theta energy: 15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1858.399102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.399102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.399102 (E_RNA)
where:
Base-Base interactions energy: -1246.265
where: short stacking energy: -566.986
Base-Backbone interact. energy: -2.384
local terms energy: -609.750336
where:
bonds (distance) C4'-P energy: -114.594
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -130.931
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -166.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1843.702649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.702649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.702649 (E_RNA)
where:
Base-Base interactions energy: -1251.315
where: short stacking energy: -558.468
Base-Backbone interact. energy: -0.554
local terms energy: -591.833190
where:
bonds (distance) C4'-P energy: -101.344
bonds (distance) P-C4' energy: -114.524
flat angles C4'-P-C4' energy: -116.185
flat angles P-C4'-P energy: -86.377
tors. eta vs tors. theta energy: -173.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1739.552406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.552406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.552406 (E_RNA)
where:
Base-Base interactions energy: -1188.154
where: short stacking energy: -519.797
Base-Backbone interact. energy: -1.970
local terms energy: -549.428272
where:
bonds (distance) C4'-P energy: -98.722
bonds (distance) P-C4' energy: -87.443
flat angles C4'-P-C4' energy: -126.935
flat angles P-C4'-P energy: -78.477
tors. eta vs tors. theta energy: -157.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1646.727095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.727095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.727095 (E_RNA)
where:
Base-Base interactions energy: -1103.263
where: short stacking energy: -488.736
Base-Backbone interact. energy: -1.489
local terms energy: -541.975195
where:
bonds (distance) C4'-P energy: -98.126
bonds (distance) P-C4' energy: -99.377
flat angles C4'-P-C4' energy: -116.934
flat angles P-C4'-P energy: -82.657
tors. eta vs tors. theta energy: -144.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1545.325493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.325493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.325493 (E_RNA)
where:
Base-Base interactions energy: -1072.137
where: short stacking energy: -480.758
Base-Backbone interact. energy: -1.358
local terms energy: -471.829787
where:
bonds (distance) C4'-P energy: -85.745
bonds (distance) P-C4' energy: -81.026
flat angles C4'-P-C4' energy: -103.229
flat angles P-C4'-P energy: -67.054
tors. eta vs tors. theta energy: -134.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1490.764554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.764554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.764554 (E_RNA)
where:
Base-Base interactions energy: -996.269
where: short stacking energy: -461.497
Base-Backbone interact. energy: -2.462
local terms energy: -492.032886
where:
bonds (distance) C4'-P energy: -94.740
bonds (distance) P-C4' energy: -87.497
flat angles C4'-P-C4' energy: -104.567
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -135.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1423.580883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.580883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.580883 (E_RNA)
where:
Base-Base interactions energy: -968.664
where: short stacking energy: -433.642
Base-Backbone interact. energy: -1.566
local terms energy: -453.351369
where:
bonds (distance) C4'-P energy: -76.204
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -103.510
flat angles P-C4'-P energy: -64.505
tors. eta vs tors. theta energy: -110.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1184.592046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.592046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.592046 (E_RNA)
where:
Base-Base interactions energy: -773.173
where: short stacking energy: -315.236
Base-Backbone interact. energy: 1.034
local terms energy: -412.453797
where:
bonds (distance) C4'-P energy: -87.835
bonds (distance) P-C4' energy: -88.070
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -63.356
tors. eta vs tors. theta energy: -84.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -845.469042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.469042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.469042 (E_RNA)
where:
Base-Base interactions energy: -525.656
where: short stacking energy: -244.370
Base-Backbone interact. energy: -0.223
local terms energy: -319.590002
where:
bonds (distance) C4'-P energy: -83.529
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -72.670
flat angles P-C4'-P energy: -52.218
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -484.619277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.619277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.619277 (E_RNA)
where:
Base-Base interactions energy: -227.409
where: short stacking energy: -157.661
Base-Backbone interact. energy: 0.750
local terms energy: -257.959718
where:
bonds (distance) C4'-P energy: -82.339
bonds (distance) P-C4' energy: -72.404
flat angles C4'-P-C4' energy: -81.520
flat angles P-C4'-P energy: -43.951
tors. eta vs tors. theta energy: 22.254
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: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1865.572368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.572368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.572368 (E_RNA)
where:
Base-Base interactions energy: -1249.791
where: short stacking energy: -548.342
Base-Backbone interact. energy: -2.110
local terms energy: -613.671710
where:
bonds (distance) C4'-P energy: -117.234
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -125.859
flat angles P-C4'-P energy: -91.098
tors. eta vs tors. theta energy: -172.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1801.717308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.717308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.717308 (E_RNA)
where:
Base-Base interactions energy: -1251.355
where: short stacking energy: -538.394
Base-Backbone interact. energy: -2.613
local terms energy: -547.749073
where:
bonds (distance) C4'-P energy: -99.050
bonds (distance) P-C4' energy: -95.905
flat angles C4'-P-C4' energy: -118.941
flat angles P-C4'-P energy: -71.379
tors. eta vs tors. theta energy: -162.474
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1755.299008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.299008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.299008 (E_RNA)
where:
Base-Base interactions energy: -1203.567
where: short stacking energy: -535.890
Base-Backbone interact. energy: 1.324
local terms energy: -553.056136
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -103.616
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -72.551
tors. eta vs tors. theta energy: -153.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1683.853737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.853737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.853737 (E_RNA)
where:
Base-Base interactions energy: -1167.329
where: short stacking energy: -512.762
Base-Backbone interact. energy: -1.661
local terms energy: -514.863840
where:
bonds (distance) C4'-P energy: -93.662
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -113.951
flat angles P-C4'-P energy: -66.404
tors. eta vs tors. theta energy: -147.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1610.725187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.725187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.725187 (E_RNA)
where:
Base-Base interactions energy: -1082.813
where: short stacking energy: -481.524
Base-Backbone interact. energy: 0.864
local terms energy: -528.776781
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -96.837
flat angles C4'-P-C4' energy: -109.004
flat angles P-C4'-P energy: -73.733
tors. eta vs tors. theta energy: -141.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1461.354825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.354825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.354825 (E_RNA)
where:
Base-Base interactions energy: -961.325
where: short stacking energy: -434.735
Base-Backbone interact. energy: -1.439
local terms energy: -498.590578
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -105.007
flat angles C4'-P-C4' energy: -110.243
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -132.785
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1401.115607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.115607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.115607 (E_RNA)
where:
Base-Base interactions energy: -928.669
where: short stacking energy: -399.302
Base-Backbone interact. energy: 1.861
local terms energy: -474.308502
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -88.726
flat angles C4'-P-C4' energy: -106.882
flat angles P-C4'-P energy: -75.523
tors. eta vs tors. theta energy: -104.529
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1230.259329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.259329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.259329 (E_RNA)
where:
Base-Base interactions energy: -804.304
where: short stacking energy: -347.049
Base-Backbone interact. energy: -0.620
local terms energy: -425.335302
where:
bonds (distance) C4'-P energy: -84.825
bonds (distance) P-C4' energy: -94.171
flat angles C4'-P-C4' energy: -100.877
flat angles P-C4'-P energy: -62.513
tors. eta vs tors. theta energy: -82.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -858.691238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.691238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.691238 (E_RNA)
where:
Base-Base interactions energy: -511.289
where: short stacking energy: -237.616
Base-Backbone interact. energy: 2.928
local terms energy: -350.330169
where:
bonds (distance) C4'-P energy: -89.333
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -69.889
flat angles P-C4'-P energy: -56.602
tors. eta vs tors. theta energy: -33.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -453.138725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.138725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.138725 (E_RNA)
where:
Base-Base interactions energy: -190.161
where: short stacking energy: -136.816
Base-Backbone interact. energy: 1.502
local terms energy: -264.479673
where:
bonds (distance) C4'-P energy: -83.209
bonds (distance) P-C4' energy: -100.867
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: 23.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1879.461412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.461412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.461412 (E_RNA)
where:
Base-Base interactions energy: -1279.704
where: short stacking energy: -574.814
Base-Backbone interact. energy: -1.939
local terms energy: -597.817657
where:
bonds (distance) C4'-P energy: -106.314
bonds (distance) P-C4' energy: -107.455
flat angles C4'-P-C4' energy: -133.845
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -165.621
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: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1767.136490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.136490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.136490 (E_RNA)
where:
Base-Base interactions energy: -1212.031
where: short stacking energy: -533.177
Base-Backbone interact. energy: -1.050
local terms energy: -554.056071
where:
bonds (distance) C4'-P energy: -106.648
bonds (distance) P-C4' energy: -97.255
flat angles C4'-P-C4' energy: -107.892
flat angles P-C4'-P energy: -82.846
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1722.272142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.272142 (E_RNA)
where:
Base-Base interactions energy: -1178.686
where: short stacking energy: -519.761
Base-Backbone interact. energy: -2.669
local terms energy: -540.917102
where:
bonds (distance) C4'-P energy: -86.621
bonds (distance) P-C4' energy: -102.599
flat angles C4'-P-C4' energy: -117.192
flat angles P-C4'-P energy: -82.761
tors. eta vs tors. theta energy: -151.744
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: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1677.224837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.224837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.224837 (E_RNA)
where:
Base-Base interactions energy: -1123.585
where: short stacking energy: -507.482
Base-Backbone interact. energy: -1.734
local terms energy: -551.905176
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -107.772
flat angles C4'-P-C4' energy: -130.785
flat angles P-C4'-P energy: -71.801
tors. eta vs tors. theta energy: -148.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1584.330475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.330475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.330475 (E_RNA)
where:
Base-Base interactions energy: -1072.998
where: short stacking energy: -464.190
Base-Backbone interact. energy: -2.302
local terms energy: -509.031282
where:
bonds (distance) C4'-P energy: -114.080
bonds (distance) P-C4' energy: -87.965
flat angles C4'-P-C4' energy: -103.446
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -122.571
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: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1477.722645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.722645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.722645 (E_RNA)
where:
Base-Base interactions energy: -981.082
where: short stacking energy: -448.884
Base-Backbone interact. energy: 0.019
local terms energy: -496.660257
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -96.996
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -78.038
tors. eta vs tors. theta energy: -120.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1375.982578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.982578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.982578 (E_RNA)
where:
Base-Base interactions energy: -919.637
where: short stacking energy: -382.754
Base-Backbone interact. energy: -3.411
local terms energy: -452.934330
where:
bonds (distance) C4'-P energy: -89.500
bonds (distance) P-C4' energy: -105.289
flat angles C4'-P-C4' energy: -103.714
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -93.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1213.173979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.173979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.173979 (E_RNA)
where:
Base-Base interactions energy: -794.127
where: short stacking energy: -344.966
Base-Backbone interact. energy: -1.982
local terms energy: -417.065294
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -86.758
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -61.459
tors. eta vs tors. theta energy: -75.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -848.227814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.227814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.227814 (E_RNA)
where:
Base-Base interactions energy: -520.992
where: short stacking energy: -260.633
Base-Backbone interact. energy: 3.601
local terms energy: -330.836788
where:
bonds (distance) C4'-P energy: -85.156
bonds (distance) P-C4' energy: -84.947
flat angles C4'-P-C4' energy: -74.143
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -417.362551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.362551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.362551 (E_RNA)
where:
Base-Base interactions energy: -118.600
where: short stacking energy: -109.012
Base-Backbone interact. energy: -1.756
local terms energy: -297.006477
where:
bonds (distance) C4'-P energy: -94.845
bonds (distance) P-C4' energy: -98.102
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: 22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1876.754810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.754810 (E_RNA)
where:
Base-Base interactions energy: -1271.614
where: short stacking energy: -580.934
Base-Backbone interact. energy: -2.294
local terms energy: -602.846904
where:
bonds (distance) C4'-P energy: -96.547
bonds (distance) P-C4' energy: -117.538
flat angles C4'-P-C4' energy: -132.563
flat angles P-C4'-P energy: -83.476
tors. eta vs tors. theta energy: -172.724
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1757.232223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.232223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.232223 (E_RNA)
where:
Base-Base interactions energy: -1182.407
where: short stacking energy: -509.888
Base-Backbone interact. energy: -2.584
local terms energy: -572.241092
where:
bonds (distance) C4'-P energy: -100.745
bonds (distance) P-C4' energy: -109.590
flat angles C4'-P-C4' energy: -129.524
flat angles P-C4'-P energy: -81.915
tors. eta vs tors. theta energy: -150.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1739.577588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.577588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.577588 (E_RNA)
where:
Base-Base interactions energy: -1185.908
where: short stacking energy: -531.333
Base-Backbone interact. energy: -1.305
local terms energy: -552.365287
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -110.688
flat angles C4'-P-C4' energy: -122.852
flat angles P-C4'-P energy: -65.839
tors. eta vs tors. theta energy: -152.621
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: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1692.502490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.502490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.502490 (E_RNA)
where:
Base-Base interactions energy: -1166.278
where: short stacking energy: -524.131
Base-Backbone interact. energy: -2.724
local terms energy: -523.500865
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -106.417
flat angles C4'-P-C4' energy: -106.558
flat angles P-C4'-P energy: -78.165
tors. eta vs tors. theta energy: -138.443
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: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1558.112876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.112876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.112876 (E_RNA)
where:
Base-Base interactions energy: -1048.024
where: short stacking energy: -462.516
Base-Backbone interact. energy: -1.003
local terms energy: -509.086048
where:
bonds (distance) C4'-P energy: -94.435
bonds (distance) P-C4' energy: -91.974
flat angles C4'-P-C4' energy: -112.516
flat angles P-C4'-P energy: -80.317
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: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1516.510039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.510039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.510039 (E_RNA)
where:
Base-Base interactions energy: -1001.937
where: short stacking energy: -433.915
Base-Backbone interact. energy: -3.968
local terms energy: -510.605312
where:
bonds (distance) C4'-P energy: -100.370
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -73.352
tors. eta vs tors. theta energy: -125.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1390.752382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.752382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.752382 (E_RNA)
where:
Base-Base interactions energy: -938.642
where: short stacking energy: -411.451
Base-Backbone interact. energy: -1.531
local terms energy: -450.579086
where:
bonds (distance) C4'-P energy: -88.014
bonds (distance) P-C4' energy: -93.905
flat angles C4'-P-C4' energy: -96.648
flat angles P-C4'-P energy: -57.685
tors. eta vs tors. theta energy: -114.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1149.896505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.896505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.896505 (E_RNA)
where:
Base-Base interactions energy: -778.169
where: short stacking energy: -334.706
Base-Backbone interact. energy: -1.822
local terms energy: -369.905390
where:
bonds (distance) C4'-P energy: -96.178
bonds (distance) P-C4' energy: -67.846
flat angles C4'-P-C4' energy: -80.691
flat angles P-C4'-P energy: -62.238
tors. eta vs tors. theta energy: -62.952
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: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -862.395491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.395491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.395491 (E_RNA)
where:
Base-Base interactions energy: -502.539
where: short stacking energy: -241.889
Base-Backbone interact. energy: -0.006
local terms energy: -359.850413
where:
bonds (distance) C4'-P energy: -100.704
bonds (distance) P-C4' energy: -84.122
flat angles C4'-P-C4' energy: -88.653
flat angles P-C4'-P energy: -57.011
tors. eta vs tors. theta energy: -29.361
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: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -421.624851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.624851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.624851 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -118.818
Base-Backbone interact. energy: 2.890
local terms energy: -278.089679
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -93.247
flat angles C4'-P-C4' energy: -82.022
flat angles P-C4'-P energy: -42.224
tors. eta vs tors. theta energy: 40.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1868.167050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.167050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.167050 (E_RNA)
where:
Base-Base interactions energy: -1271.693
where: short stacking energy: -555.173
Base-Backbone interact. energy: -3.128
local terms energy: -593.345970
where:
bonds (distance) C4'-P energy: -110.015
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -122.785
flat angles P-C4'-P energy: -88.945
tors. eta vs tors. theta energy: -164.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1785.196860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.196860 (E_RNA)
where:
Base-Base interactions energy: -1210.129
where: short stacking energy: -558.441
Base-Backbone interact. energy: -0.363
local terms energy: -574.704332
where:
bonds (distance) C4'-P energy: -110.308
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -114.713
flat angles P-C4'-P energy: -78.313
tors. eta vs tors. theta energy: -164.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1684.743344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.743344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.743344 (E_RNA)
where:
Base-Base interactions energy: -1149.836
where: short stacking energy: -479.029
Base-Backbone interact. energy: 0.627
local terms energy: -535.534297
where:
bonds (distance) C4'-P energy: -93.330
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -110.477
flat angles P-C4'-P energy: -74.575
tors. eta vs tors. theta energy: -140.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1672.346959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.346959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.346959 (E_RNA)
where:
Base-Base interactions energy: -1141.639
where: short stacking energy: -493.606
Base-Backbone interact. energy: -0.280
local terms energy: -530.427445
where:
bonds (distance) C4'-P energy: -98.500
bonds (distance) P-C4' energy: -108.672
flat angles C4'-P-C4' energy: -106.117
flat angles P-C4'-P energy: -79.419
tors. eta vs tors. theta energy: -137.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1577.236625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.236625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.236625 (E_RNA)
where:
Base-Base interactions energy: -1083.463
where: short stacking energy: -491.239
Base-Backbone interact. energy: -1.547
local terms energy: -492.226420
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -85.869
flat angles C4'-P-C4' energy: -101.107
flat angles P-C4'-P energy: -79.624
tors. eta vs tors. theta energy: -137.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1513.614912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.614912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.614912 (E_RNA)
where:
Base-Base interactions energy: -1027.287
where: short stacking energy: -465.984
Base-Backbone interact. energy: -0.882
local terms energy: -485.446778
where:
bonds (distance) C4'-P energy: -85.320
bonds (distance) P-C4' energy: -95.609
flat angles C4'-P-C4' energy: -104.288
flat angles P-C4'-P energy: -55.854
tors. eta vs tors. theta energy: -144.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1384.390651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.390651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.390651 (E_RNA)
where:
Base-Base interactions energy: -933.274
where: short stacking energy: -404.819
Base-Backbone interact. energy: -3.234
local terms energy: -447.882719
where:
bonds (distance) C4'-P energy: -83.061
bonds (distance) P-C4' energy: -88.276
flat angles C4'-P-C4' energy: -111.268
flat angles P-C4'-P energy: -60.766
tors. eta vs tors. theta energy: -104.512
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: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1132.896508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.896508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.896508 (E_RNA)
where:
Base-Base interactions energy: -730.006
where: short stacking energy: -318.795
Base-Backbone interact. energy: -1.681
local terms energy: -401.210035
where:
bonds (distance) C4'-P energy: -92.354
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -97.261
flat angles P-C4'-P energy: -55.149
tors. eta vs tors. theta energy: -61.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -857.542501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.542501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.542501 (E_RNA)
where:
Base-Base interactions energy: -526.259
where: short stacking energy: -252.978
Base-Backbone interact. energy: 2.305
local terms energy: -333.588398
where:
bonds (distance) C4'-P energy: -68.226
bonds (distance) P-C4' energy: -84.827
flat angles C4'-P-C4' energy: -79.749
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -48.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -444.565567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.565567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.565567 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -121.518
Base-Backbone interact. energy: -1.866
local terms energy: -290.958280
where:
bonds (distance) C4'-P energy: -81.696
bonds (distance) P-C4' energy: -98.954
flat angles C4'-P-C4' energy: -74.482
flat angles P-C4'-P energy: -54.685
tors. eta vs tors. theta energy: 18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1864.199372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.199372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.199372 (E_RNA)
where:
Base-Base interactions energy: -1317.652
where: short stacking energy: -574.290
Base-Backbone interact. energy: -1.922
local terms energy: -544.625906
where:
bonds (distance) C4'-P energy: -92.257
bonds (distance) P-C4' energy: -102.336
flat angles C4'-P-C4' energy: -111.058
flat angles P-C4'-P energy: -73.482
tors. eta vs tors. theta energy: -165.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1775.575134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.575134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.575134 (E_RNA)
where:
Base-Base interactions energy: -1190.060
where: short stacking energy: -530.576
Base-Backbone interact. energy: -0.610
local terms energy: -584.905104
where:
bonds (distance) C4'-P energy: -104.036
bonds (distance) P-C4' energy: -103.448
flat angles C4'-P-C4' energy: -118.801
flat angles P-C4'-P energy: -91.522
tors. eta vs tors. theta energy: -167.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1742.845031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.845031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.845031 (E_RNA)
where:
Base-Base interactions energy: -1199.248
where: short stacking energy: -536.820
Base-Backbone interact. energy: -2.006
local terms energy: -541.591504
where:
bonds (distance) C4'-P energy: -99.145
bonds (distance) P-C4' energy: -103.756
flat angles C4'-P-C4' energy: -120.871
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -151.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1657.362877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.362877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.362877 (E_RNA)
where:
Base-Base interactions energy: -1106.736
where: short stacking energy: -475.143
Base-Backbone interact. energy: 0.880
local terms energy: -551.506697
where:
bonds (distance) C4'-P energy: -98.323
bonds (distance) P-C4' energy: -95.699
flat angles C4'-P-C4' energy: -120.566
flat angles P-C4'-P energy: -81.060
tors. eta vs tors. theta energy: -155.858
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: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1598.094627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.094627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.094627 (E_RNA)
where:
Base-Base interactions energy: -1104.163
where: short stacking energy: -485.112
Base-Backbone interact. energy: 1.681
local terms energy: -495.612118
where:
bonds (distance) C4'-P energy: -88.499
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -104.869
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -136.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1459.188105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.188105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.188105 (E_RNA)
where:
Base-Base interactions energy: -948.777
where: short stacking energy: -425.274
Base-Backbone interact. energy: -1.829
local terms energy: -508.582688
where:
bonds (distance) C4'-P energy: -116.795
bonds (distance) P-C4' energy: -88.294
flat angles C4'-P-C4' energy: -110.431
flat angles P-C4'-P energy: -65.873
tors. eta vs tors. theta energy: -127.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1383.921460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.921460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.921460 (E_RNA)
where:
Base-Base interactions energy: -921.441
where: short stacking energy: -384.290
Base-Backbone interact. energy: -2.092
local terms energy: -460.388311
where:
bonds (distance) C4'-P energy: -80.038
bonds (distance) P-C4' energy: -103.646
flat angles C4'-P-C4' energy: -105.554
flat angles P-C4'-P energy: -67.308
tors. eta vs tors. theta energy: -103.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1168.312761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.312761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.312761 (E_RNA)
where:
Base-Base interactions energy: -757.495
where: short stacking energy: -343.376
Base-Backbone interact. energy: -1.714
local terms energy: -409.104188
where:
bonds (distance) C4'-P energy: -82.847
bonds (distance) P-C4' energy: -93.683
flat angles C4'-P-C4' energy: -97.661
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -68.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -807.088115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.088115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.088115 (E_RNA)
where:
Base-Base interactions energy: -466.862
where: short stacking energy: -222.958
Base-Backbone interact. energy: 1.181
local terms energy: -341.407437
where:
bonds (distance) C4'-P energy: -81.657
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -81.819
flat angles P-C4'-P energy: -70.663
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -426.181979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.181979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.181979 (E_RNA)
where:
Base-Base interactions energy: -171.186
where: short stacking energy: -126.872
Base-Backbone interact. energy: -1.831
local terms energy: -253.164824
where:
bonds (distance) C4'-P energy: -72.891
bonds (distance) P-C4' energy: -77.880
flat angles C4'-P-C4' energy: -76.710
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: 8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1868.252647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.252647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.252647 (E_RNA)
where:
Base-Base interactions energy: -1291.257
where: short stacking energy: -569.992
Base-Backbone interact. energy: 0.368
local terms energy: -577.364251
where:
bonds (distance) C4'-P energy: -92.547
bonds (distance) P-C4' energy: -102.861
flat angles C4'-P-C4' energy: -127.646
flat angles P-C4'-P energy: -77.345
tors. eta vs tors. theta energy: -176.965
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1808.555190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.555190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.555190 (E_RNA)
where:
Base-Base interactions energy: -1233.301
where: short stacking energy: -547.963
Base-Backbone interact. energy: -1.021
local terms energy: -574.232833
where:
bonds (distance) C4'-P energy: -113.005
bonds (distance) P-C4' energy: -101.647
flat angles C4'-P-C4' energy: -121.353
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -165.323
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1742.596271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.596271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.596271 (E_RNA)
where:
Base-Base interactions energy: -1200.466
where: short stacking energy: -510.786
Base-Backbone interact. energy: -2.318
local terms energy: -539.812985
where:
bonds (distance) C4'-P energy: -98.556
bonds (distance) P-C4' energy: -102.363
flat angles C4'-P-C4' energy: -120.141
flat angles P-C4'-P energy: -75.960
tors. eta vs tors. theta energy: -142.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1625.798848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.798848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.798848 (E_RNA)
where:
Base-Base interactions energy: -1107.199
where: short stacking energy: -480.500
Base-Backbone interact. energy: -1.188
local terms energy: -517.411337
where:
bonds (distance) C4'-P energy: -93.041
bonds (distance) P-C4' energy: -101.673
flat angles C4'-P-C4' energy: -112.942
flat angles P-C4'-P energy: -72.428
tors. eta vs tors. theta energy: -137.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1588.535996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.535996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.535996 (E_RNA)
where:
Base-Base interactions energy: -1083.398
where: short stacking energy: -476.207
Base-Backbone interact. energy: -1.284
local terms energy: -503.853691
where:
bonds (distance) C4'-P energy: -87.181
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -110.972
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -133.404
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: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1450.573508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.573508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.573508 (E_RNA)
where:
Base-Base interactions energy: -987.633
where: short stacking energy: -444.980
Base-Backbone interact. energy: 2.894
local terms energy: -465.834131
where:
bonds (distance) C4'-P energy: -88.885
bonds (distance) P-C4' energy: -92.383
flat angles C4'-P-C4' energy: -106.429
flat angles P-C4'-P energy: -60.252
tors. eta vs tors. theta energy: -117.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1406.926164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.926164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.926164 (E_RNA)
where:
Base-Base interactions energy: -937.005
where: short stacking energy: -407.815
Base-Backbone interact. energy: -1.820
local terms energy: -468.101683
where:
bonds (distance) C4'-P energy: -89.875
bonds (distance) P-C4' energy: -104.769
flat angles C4'-P-C4' energy: -100.013
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -100.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1110.567947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.567947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.567947 (E_RNA)
where:
Base-Base interactions energy: -738.078
where: short stacking energy: -319.681
Base-Backbone interact. energy: -3.094
local terms energy: -369.396384
where:
bonds (distance) C4'-P energy: -72.938
bonds (distance) P-C4' energy: -104.262
flat angles C4'-P-C4' energy: -87.084
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -59.497
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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -802.893541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.893541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.893541 (E_RNA)
where:
Base-Base interactions energy: -494.563
where: short stacking energy: -223.000
Base-Backbone interact. energy: 0.093
local terms energy: -308.423584
where:
bonds (distance) C4'-P energy: -88.138
bonds (distance) P-C4' energy: -84.261
flat angles C4'-P-C4' energy: -80.841
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -470.350278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.350278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.350278 (E_RNA)
where:
Base-Base interactions energy: -194.134
where: short stacking energy: -137.585
Base-Backbone interact. energy: -0.652
local terms energy: -275.563914
where:
bonds (distance) C4'-P energy: -92.095
bonds (distance) P-C4' energy: -88.668
flat angles C4'-P-C4' energy: -68.071
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: 12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1848.751881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.751881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.751881 (E_RNA)
where:
Base-Base interactions energy: -1259.565
where: short stacking energy: -550.525
Base-Backbone interact. energy: -2.693
local terms energy: -586.493110
where:
bonds (distance) C4'-P energy: -110.436
bonds (distance) P-C4' energy: -113.636
flat angles C4'-P-C4' energy: -127.995
flat angles P-C4'-P energy: -74.197
tors. eta vs tors. theta energy: -160.228
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: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1778.034340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.034340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.034340 (E_RNA)
where:
Base-Base interactions energy: -1213.146
where: short stacking energy: -512.259
Base-Backbone interact. energy: -1.216
local terms energy: -563.671836
where:
bonds (distance) C4'-P energy: -112.706
bonds (distance) P-C4' energy: -110.192
flat angles C4'-P-C4' energy: -111.447
flat angles P-C4'-P energy: -81.103
tors. eta vs tors. theta energy: -148.224
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: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1734.112218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.112218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.112218 (E_RNA)
where:
Base-Base interactions energy: -1160.998
where: short stacking energy: -500.100
Base-Backbone interact. energy: -1.939
local terms energy: -571.174519
where:
bonds (distance) C4'-P energy: -109.468
bonds (distance) P-C4' energy: -113.040
flat angles C4'-P-C4' energy: -110.040
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -154.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1643.561044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.561044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.561044 (E_RNA)
where:
Base-Base interactions energy: -1137.850
where: short stacking energy: -499.644
Base-Backbone interact. energy: -1.635
local terms energy: -504.076635
where:
bonds (distance) C4'-P energy: -96.504
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -107.352
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -137.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1484.749917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.749917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.749917 (E_RNA)
where:
Base-Base interactions energy: -1024.112
where: short stacking energy: -446.638
Base-Backbone interact. energy: 0.028
local terms energy: -460.665948
where:
bonds (distance) C4'-P energy: -98.075
bonds (distance) P-C4' energy: -88.198
flat angles C4'-P-C4' energy: -87.687
flat angles P-C4'-P energy: -68.311
tors. eta vs tors. theta energy: -118.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1523.656802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.656802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.656802 (E_RNA)
where:
Base-Base interactions energy: -1059.271
where: short stacking energy: -461.540
Base-Backbone interact. energy: -0.840
local terms energy: -463.545425
where:
bonds (distance) C4'-P energy: -77.560
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -109.230
flat angles P-C4'-P energy: -61.936
tors. eta vs tors. theta energy: -113.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1379.111333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.111333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.111333 (E_RNA)
where:
Base-Base interactions energy: -924.048
where: short stacking energy: -390.941
Base-Backbone interact. energy: -1.750
local terms energy: -453.313225
where:
bonds (distance) C4'-P energy: -86.456
bonds (distance) P-C4' energy: -107.307
flat angles C4'-P-C4' energy: -92.250
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -102.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1165.846155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.846155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.846155 (E_RNA)
where:
Base-Base interactions energy: -772.691
where: short stacking energy: -337.525
Base-Backbone interact. energy: -2.257
local terms energy: -390.899002
where:
bonds (distance) C4'-P energy: -80.469
bonds (distance) P-C4' energy: -96.614
flat angles C4'-P-C4' energy: -91.655
flat angles P-C4'-P energy: -49.162
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -835.223823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.223823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.223823 (E_RNA)
where:
Base-Base interactions energy: -499.620
where: short stacking energy: -237.245
Base-Backbone interact. energy: -3.246
local terms energy: -332.358257
where:
bonds (distance) C4'-P energy: -89.283
bonds (distance) P-C4' energy: -84.110
flat angles C4'-P-C4' energy: -74.995
flat angles P-C4'-P energy: -52.868
tors. eta vs tors. theta energy: -31.103
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -456.900070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.900070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.900070 (E_RNA)
where:
Base-Base interactions energy: -183.457
where: short stacking energy: -132.169
Base-Backbone interact. energy: -0.452
local terms energy: -272.991070
where:
bonds (distance) C4'-P energy: -80.308
bonds (distance) P-C4' energy: -85.211
flat angles C4'-P-C4' energy: -70.243
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: 2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1841.681110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.681110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.681110 (E_RNA)
where:
Base-Base interactions energy: -1237.832
where: short stacking energy: -558.924
Base-Backbone interact. energy: 1.196
local terms energy: -605.045260
where:
bonds (distance) C4'-P energy: -113.761
bonds (distance) P-C4' energy: -109.567
flat angles C4'-P-C4' energy: -118.944
flat angles P-C4'-P energy: -94.247
tors. eta vs tors. theta energy: -168.526
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: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1799.346472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.346472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.346472 (E_RNA)
where:
Base-Base interactions energy: -1251.466
where: short stacking energy: -570.795
Base-Backbone interact. energy: -2.270
local terms energy: -545.610569
where:
bonds (distance) C4'-P energy: -89.830
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -126.971
flat angles P-C4'-P energy: -74.198
tors. eta vs tors. theta energy: -155.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1733.558737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.558737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.558737 (E_RNA)
where:
Base-Base interactions energy: -1178.962
where: short stacking energy: -519.280
Base-Backbone interact. energy: -3.279
local terms energy: -551.317449
where:
bonds (distance) C4'-P energy: -115.317
bonds (distance) P-C4' energy: -102.307
flat angles C4'-P-C4' energy: -118.446
flat angles P-C4'-P energy: -72.092
tors. eta vs tors. theta energy: -143.155
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: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1638.546240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.546240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.546240 (E_RNA)
where:
Base-Base interactions energy: -1093.337
where: short stacking energy: -503.310
Base-Backbone interact. energy: -2.378
local terms energy: -542.831514
where:
bonds (distance) C4'-P energy: -106.722
bonds (distance) P-C4' energy: -93.594
flat angles C4'-P-C4' energy: -126.803
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -147.393
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1494.920040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.920040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.920040 (E_RNA)
where:
Base-Base interactions energy: -994.751
where: short stacking energy: -446.163
Base-Backbone interact. energy: -0.958
local terms energy: -499.210371
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -99.572
flat angles C4'-P-C4' energy: -107.526
flat angles P-C4'-P energy: -60.840
tors. eta vs tors. theta energy: -128.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1534.247388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.247388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.247388 (E_RNA)
where:
Base-Base interactions energy: -1050.004
where: short stacking energy: -449.154
Base-Backbone interact. energy: 0.262
local terms energy: -484.505432
where:
bonds (distance) C4'-P energy: -86.927
bonds (distance) P-C4' energy: -82.819
flat angles C4'-P-C4' energy: -106.934
flat angles P-C4'-P energy: -83.924
tors. eta vs tors. theta energy: -123.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1361.621339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.621339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.621339 (E_RNA)
where:
Base-Base interactions energy: -924.720
where: short stacking energy: -410.923
Base-Backbone interact. energy: 1.368
local terms energy: -438.269062
where:
bonds (distance) C4'-P energy: -91.900
bonds (distance) P-C4' energy: -80.683
flat angles C4'-P-C4' energy: -94.857
flat angles P-C4'-P energy: -64.325
tors. eta vs tors. theta energy: -106.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1155.484911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.484911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.484911 (E_RNA)
where:
Base-Base interactions energy: -753.660
where: short stacking energy: -328.320
Base-Backbone interact. energy: -1.071
local terms energy: -400.754614
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -90.214
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -63.205
tors. eta vs tors. theta energy: -73.823
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: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -881.735575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.735575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.735575 (E_RNA)
where:
Base-Base interactions energy: -521.000
where: short stacking energy: -252.803
Base-Backbone interact. energy: 3.001
local terms energy: -363.736956
where:
bonds (distance) C4'-P energy: -84.697
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -89.755
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -457.033710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.033710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.033710 (E_RNA)
where:
Base-Base interactions energy: -196.145
where: short stacking energy: -130.088
Base-Backbone interact. energy: 3.673
local terms energy: -264.561894
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -79.071
flat angles C4'-P-C4' energy: -79.415
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: 21.033
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1856.663881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.663881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.663881 (E_RNA)
where:
Base-Base interactions energy: -1252.791
where: short stacking energy: -568.754
Base-Backbone interact. energy: -0.419
local terms energy: -603.453645
where:
bonds (distance) C4'-P energy: -113.054
bonds (distance) P-C4' energy: -114.727
flat angles C4'-P-C4' energy: -126.975
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -160.692
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1808.340129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.340129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.340129 (E_RNA)
where:
Base-Base interactions energy: -1235.737
where: short stacking energy: -544.908
Base-Backbone interact. energy: -0.819
local terms energy: -571.783741
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -113.900
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -159.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1737.281188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.281188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.281188 (E_RNA)
where:
Base-Base interactions energy: -1144.577
where: short stacking energy: -507.680
Base-Backbone interact. energy: -1.765
local terms energy: -590.939200
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -114.748
flat angles C4'-P-C4' energy: -119.973
flat angles P-C4'-P energy: -84.998
tors. eta vs tors. theta energy: -172.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1646.219770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.219770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.219770 (E_RNA)
where:
Base-Base interactions energy: -1100.194
where: short stacking energy: -477.873
Base-Backbone interact. energy: -4.712
local terms energy: -541.313408
where:
bonds (distance) C4'-P energy: -97.930
bonds (distance) P-C4' energy: -111.482
flat angles C4'-P-C4' energy: -101.209
flat angles P-C4'-P energy: -84.241
tors. eta vs tors. theta energy: -146.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1521.950589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.950589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.950589 (E_RNA)
where:
Base-Base interactions energy: -1055.312
where: short stacking energy: -461.798
Base-Backbone interact. energy: -2.076
local terms energy: -464.561872
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -91.404
flat angles C4'-P-C4' energy: -102.483
flat angles P-C4'-P energy: -69.047
tors. eta vs tors. theta energy: -126.463
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: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1478.051609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.051609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.051609 (E_RNA)
where:
Base-Base interactions energy: -994.624
where: short stacking energy: -433.965
Base-Backbone interact. energy: -0.622
local terms energy: -482.805301
where:
bonds (distance) C4'-P energy: -90.828
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -94.221
flat angles P-C4'-P energy: -79.315
tors. eta vs tors. theta energy: -123.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1418.309086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.309086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.309086 (E_RNA)
where:
Base-Base interactions energy: -948.631
where: short stacking energy: -386.351
Base-Backbone interact. energy: 4.157
local terms energy: -473.835387
where:
bonds (distance) C4'-P energy: -96.599
bonds (distance) P-C4' energy: -88.872
flat angles C4'-P-C4' energy: -116.911
flat angles P-C4'-P energy: -67.524
tors. eta vs tors. theta energy: -103.929
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: 226
Temperature: 1.250000
Total energy: -1204.872024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.872024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.872024 (E_RNA)
where:
Base-Base interactions energy: -813.661
where: short stacking energy: -366.896
Base-Backbone interact. energy: 1.681
local terms energy: -392.892229
where:
bonds (distance) C4'-P energy: -64.931
bonds (distance) P-C4' energy: -90.208
flat angles C4'-P-C4' energy: -98.536
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -79.009
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: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -927.977845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.977845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.977845 (E_RNA)
where:
Base-Base interactions energy: -562.248
where: short stacking energy: -249.067
Base-Backbone interact. energy: -0.172
local terms energy: -365.558355
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -104.787
flat angles C4'-P-C4' energy: -95.652
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -33.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -468.555146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.555146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.555146 (E_RNA)
where:
Base-Base interactions energy: -212.321
where: short stacking energy: -158.109
Base-Backbone interact. energy: -1.179
local terms energy: -255.055393
where:
bonds (distance) C4'-P energy: -68.425
bonds (distance) P-C4' energy: -80.433
flat angles C4'-P-C4' energy: -73.931
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: 6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1834.106028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.106028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.106028 (E_RNA)
where:
Base-Base interactions energy: -1245.107
where: short stacking energy: -567.042
Base-Backbone interact. energy: 0.915
local terms energy: -589.914315
where:
bonds (distance) C4'-P energy: -114.472
bonds (distance) P-C4' energy: -115.574
flat angles C4'-P-C4' energy: -119.676
flat angles P-C4'-P energy: -79.972
tors. eta vs tors. theta energy: -160.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1812.088245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.088245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.088245 (E_RNA)
where:
Base-Base interactions energy: -1235.781
where: short stacking energy: -520.080
Base-Backbone interact. energy: 0.552
local terms energy: -576.858950
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -110.556
flat angles C4'-P-C4' energy: -120.665
flat angles P-C4'-P energy: -79.708
tors. eta vs tors. theta energy: -153.121
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: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1722.834150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.834150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.834150 (E_RNA)
where:
Base-Base interactions energy: -1156.928
where: short stacking energy: -530.046
Base-Backbone interact. energy: -0.839
local terms energy: -565.067890
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -98.017
flat angles C4'-P-C4' energy: -124.087
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -167.885
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: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1695.692749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.692749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.692749 (E_RNA)
where:
Base-Base interactions energy: -1144.326
where: short stacking energy: -516.394
Base-Backbone interact. energy: -1.679
local terms energy: -549.687934
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -103.400
flat angles C4'-P-C4' energy: -110.834
flat angles P-C4'-P energy: -83.119
tors. eta vs tors. theta energy: -148.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1579.016724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.016724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.016724 (E_RNA)
where:
Base-Base interactions energy: -1094.747
where: short stacking energy: -498.060
Base-Backbone interact. energy: -2.553
local terms energy: -481.717193
where:
bonds (distance) C4'-P energy: -71.578
bonds (distance) P-C4' energy: -100.906
flat angles C4'-P-C4' energy: -101.092
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -134.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1477.144425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.144425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.144425 (E_RNA)
where:
Base-Base interactions energy: -1018.431
where: short stacking energy: -428.221
Base-Backbone interact. energy: -1.916
local terms energy: -456.797701
where:
bonds (distance) C4'-P energy: -96.074
bonds (distance) P-C4' energy: -91.593
flat angles C4'-P-C4' energy: -98.909
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -121.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1438.282983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.282983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.282983 (E_RNA)
where:
Base-Base interactions energy: -960.962
where: short stacking energy: -399.080
Base-Backbone interact. energy: -2.219
local terms energy: -475.102426
where:
bonds (distance) C4'-P energy: -90.662
bonds (distance) P-C4' energy: -92.613
flat angles C4'-P-C4' energy: -93.515
flat angles P-C4'-P energy: -77.133
tors. eta vs tors. theta energy: -121.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1178.758805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.758805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.758805 (E_RNA)
where:
Base-Base interactions energy: -768.003
where: short stacking energy: -343.536
Base-Backbone interact. energy: -1.000
local terms energy: -409.755887
where:
bonds (distance) C4'-P energy: -81.802
bonds (distance) P-C4' energy: -109.342
flat angles C4'-P-C4' energy: -103.717
flat angles P-C4'-P energy: -45.007
tors. eta vs tors. theta energy: -69.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -912.827667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.827667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.827667 (E_RNA)
where:
Base-Base interactions energy: -575.704
where: short stacking energy: -253.196
Base-Backbone interact. energy: -0.857
local terms energy: -336.266922
where:
bonds (distance) C4'-P energy: -79.824
bonds (distance) P-C4' energy: -89.546
flat angles C4'-P-C4' energy: -80.198
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -442.242881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.242881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.242881 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -128.366
Base-Backbone interact. energy: -1.757
local terms energy: -289.443310
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -102.155
flat angles C4'-P-C4' energy: -74.323
flat angles P-C4'-P energy: -49.960
tors. eta vs tors. theta energy: 16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1842.375580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.375580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.375580 (E_RNA)
where:
Base-Base interactions energy: -1250.865
where: short stacking energy: -551.209
Base-Backbone interact. energy: -1.015
local terms energy: -590.495036
where:
bonds (distance) C4'-P energy: -108.041
bonds (distance) P-C4' energy: -108.846
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -78.015
tors. eta vs tors. theta energy: -171.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1798.315932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.315932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.315932 (E_RNA)
where:
Base-Base interactions energy: -1216.835
where: short stacking energy: -573.557
Base-Backbone interact. energy: -1.302
local terms energy: -580.179820
where:
bonds (distance) C4'-P energy: -100.644
bonds (distance) P-C4' energy: -117.503
flat angles C4'-P-C4' energy: -118.611
flat angles P-C4'-P energy: -82.301
tors. eta vs tors. theta energy: -161.121
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1712.682717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.682717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.682717 (E_RNA)
where:
Base-Base interactions energy: -1159.979
where: short stacking energy: -532.210
Base-Backbone interact. energy: -1.110
local terms energy: -551.593634
where:
bonds (distance) C4'-P energy: -95.107
bonds (distance) P-C4' energy: -97.568
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -88.913
tors. eta vs tors. theta energy: -153.538
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: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1671.355068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.355068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.355068 (E_RNA)
where:
Base-Base interactions energy: -1140.671
where: short stacking energy: -500.045
Base-Backbone interact. energy: 0.610
local terms energy: -531.294511
where:
bonds (distance) C4'-P energy: -94.801
bonds (distance) P-C4' energy: -103.505
flat angles C4'-P-C4' energy: -114.895
flat angles P-C4'-P energy: -83.865
tors. eta vs tors. theta energy: -134.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1544.968251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.968251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.968251 (E_RNA)
where:
Base-Base interactions energy: -1036.660
where: short stacking energy: -454.270
Base-Backbone interact. energy: -3.478
local terms energy: -504.830245
where:
bonds (distance) C4'-P energy: -98.067
bonds (distance) P-C4' energy: -100.343
flat angles C4'-P-C4' energy: -99.932
flat angles P-C4'-P energy: -76.030
tors. eta vs tors. theta energy: -130.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1457.158327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.158327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.158327 (E_RNA)
where:
Base-Base interactions energy: -978.416
where: short stacking energy: -433.538
Base-Backbone interact. energy: -1.773
local terms energy: -476.969283
where:
bonds (distance) C4'-P energy: -91.196
bonds (distance) P-C4' energy: -80.352
flat angles C4'-P-C4' energy: -107.776
flat angles P-C4'-P energy: -74.467
tors. eta vs tors. theta energy: -123.179
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1432.052680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.052680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.052680 (E_RNA)
where:
Base-Base interactions energy: -992.267
where: short stacking energy: -422.309
Base-Backbone interact. energy: -1.386
local terms energy: -438.400236
where:
bonds (distance) C4'-P energy: -70.341
bonds (distance) P-C4' energy: -82.599
flat angles C4'-P-C4' energy: -104.724
flat angles P-C4'-P energy: -64.702
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: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1163.691650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.691650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.691650 (E_RNA)
where:
Base-Base interactions energy: -776.618
where: short stacking energy: -340.884
Base-Backbone interact. energy: -2.146
local terms energy: -384.927185
where:
bonds (distance) C4'-P energy: -94.965
bonds (distance) P-C4' energy: -80.357
flat angles C4'-P-C4' energy: -92.401
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: -64.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -895.249639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.249639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.249639 (E_RNA)
where:
Base-Base interactions energy: -532.511
where: short stacking energy: -260.561
Base-Backbone interact. energy: 2.114
local terms energy: -364.852544
where:
bonds (distance) C4'-P energy: -91.016
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -38.023
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: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -441.330349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.330349 (E_RNA)
where:
Base-Base interactions energy: -174.056
where: short stacking energy: -124.816
Base-Backbone interact. energy: 6.955
local terms energy: -274.229211
where:
bonds (distance) C4'-P energy: -69.567
bonds (distance) P-C4' energy: -99.594
flat angles C4'-P-C4' energy: -88.624
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: 26.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1852.759054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.759054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.759054 (E_RNA)
where:
Base-Base interactions energy: -1257.965
where: short stacking energy: -551.707
Base-Backbone interact. energy: -0.595
local terms energy: -594.198619
where:
bonds (distance) C4'-P energy: -113.948
bonds (distance) P-C4' energy: -101.901
flat angles C4'-P-C4' energy: -119.431
flat angles P-C4'-P energy: -85.793
tors. eta vs tors. theta energy: -173.126
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: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1752.007305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.007305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.007305 (E_RNA)
where:
Base-Base interactions energy: -1202.072
where: short stacking energy: -533.024
Base-Backbone interact. energy: -2.539
local terms energy: -547.396602
where:
bonds (distance) C4'-P energy: -113.899
bonds (distance) P-C4' energy: -101.577
flat angles C4'-P-C4' energy: -112.366
flat angles P-C4'-P energy: -69.751
tors. eta vs tors. theta energy: -149.805
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: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1710.645173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.645173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.645173 (E_RNA)
where:
Base-Base interactions energy: -1158.377
where: short stacking energy: -525.027
Base-Backbone interact. energy: -3.170
local terms energy: -549.098106
where:
bonds (distance) C4'-P energy: -99.064
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -113.049
flat angles P-C4'-P energy: -85.955
tors. eta vs tors. theta energy: -154.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1677.747121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.747121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.747121 (E_RNA)
where:
Base-Base interactions energy: -1138.403
where: short stacking energy: -513.242
Base-Backbone interact. energy: 0.665
local terms energy: -540.009262
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -94.335
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -67.126
tors. eta vs tors. theta energy: -156.254
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: 229
Temperature: 1.100000
Total energy: -1582.726097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.726097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.726097 (E_RNA)
where:
Base-Base interactions energy: -1063.449
where: short stacking energy: -487.917
Base-Backbone interact. energy: 0.196
local terms energy: -519.472816
where:
bonds (distance) C4'-P energy: -97.182
bonds (distance) P-C4' energy: -111.980
flat angles C4'-P-C4' energy: -98.909
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -138.676
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1500.698312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.698312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.698312 (E_RNA)
where:
Base-Base interactions energy: -1037.149
where: short stacking energy: -441.238
Base-Backbone interact. energy: 1.914
local terms energy: -465.462823
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -89.718
flat angles C4'-P-C4' energy: -107.778
flat angles P-C4'-P energy: -67.038
tors. eta vs tors. theta energy: -120.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1491.653780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.653780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.653780 (E_RNA)
where:
Base-Base interactions energy: -1025.510
where: short stacking energy: -443.099
Base-Backbone interact. energy: 0.528
local terms energy: -466.671177
where:
bonds (distance) C4'-P energy: -84.453
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -106.409
flat angles P-C4'-P energy: -61.253
tors. eta vs tors. theta energy: -113.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1179.492829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.492829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.492829 (E_RNA)
where:
Base-Base interactions energy: -782.357
where: short stacking energy: -344.248
Base-Backbone interact. energy: -3.537
local terms energy: -393.598752
where:
bonds (distance) C4'-P energy: -106.740
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -81.996
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -74.722
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -878.086376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.086376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.086376 (E_RNA)
where:
Base-Base interactions energy: -510.732
where: short stacking energy: -241.482
Base-Backbone interact. energy: -2.461
local terms energy: -364.892530
where:
bonds (distance) C4'-P energy: -90.742
bonds (distance) P-C4' energy: -89.251
flat angles C4'-P-C4' energy: -101.162
flat angles P-C4'-P energy: -53.176
tors. eta vs tors. theta energy: -30.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -429.108308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.108308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.108308 (E_RNA)
where:
Base-Base interactions energy: -126.445
where: short stacking energy: -107.432
Base-Backbone interact. energy: 2.517
local terms energy: -305.180492
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -94.585
flat angles C4'-P-C4' energy: -85.119
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: 12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1847.595916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.595916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.595916 (E_RNA)
where:
Base-Base interactions energy: -1265.007
where: short stacking energy: -561.975
Base-Backbone interact. energy: -0.313
local terms energy: -582.276546
where:
bonds (distance) C4'-P energy: -108.694
bonds (distance) P-C4' energy: -108.115
flat angles C4'-P-C4' energy: -117.031
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -161.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1778.300735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.300735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.300735 (E_RNA)
where:
Base-Base interactions energy: -1228.730
where: short stacking energy: -572.024
Base-Backbone interact. energy: -0.490
local terms energy: -549.080762
where:
bonds (distance) C4'-P energy: -95.820
bonds (distance) P-C4' energy: -96.294
flat angles C4'-P-C4' energy: -118.815
flat angles P-C4'-P energy: -77.965
tors. eta vs tors. theta energy: -160.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1734.514997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.514997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.514997 (E_RNA)
where:
Base-Base interactions energy: -1169.309
where: short stacking energy: -524.384
Base-Backbone interact. energy: -1.328
local terms energy: -563.878227
where:
bonds (distance) C4'-P energy: -109.141
bonds (distance) P-C4' energy: -104.470
flat angles C4'-P-C4' energy: -113.500
flat angles P-C4'-P energy: -77.268
tors. eta vs tors. theta energy: -159.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1679.884781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.884781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.884781 (E_RNA)
where:
Base-Base interactions energy: -1127.675
where: short stacking energy: -483.180
Base-Backbone interact. energy: -2.592
local terms energy: -549.618103
where:
bonds (distance) C4'-P energy: -97.847
bonds (distance) P-C4' energy: -114.424
flat angles C4'-P-C4' energy: -122.287
flat angles P-C4'-P energy: -74.853
tors. eta vs tors. theta energy: -140.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1605.264658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.264658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.264658 (E_RNA)
where:
Base-Base interactions energy: -1072.595
where: short stacking energy: -487.950
Base-Backbone interact. energy: -0.553
local terms energy: -532.117077
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -104.147
flat angles C4'-P-C4' energy: -116.752
flat angles P-C4'-P energy: -62.329
tors. eta vs tors. theta energy: -139.866
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: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1511.859897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.859897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.859897 (E_RNA)
where:
Base-Base interactions energy: -1035.832
where: short stacking energy: -418.814
Base-Backbone interact. energy: 0.490
local terms energy: -476.518187
where:
bonds (distance) C4'-P energy: -89.083
bonds (distance) P-C4' energy: -104.131
flat angles C4'-P-C4' energy: -113.989
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -106.527
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: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1487.184230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.184230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.184230 (E_RNA)
where:
Base-Base interactions energy: -1001.595
where: short stacking energy: -431.479
Base-Backbone interact. energy: -1.392
local terms energy: -484.197388
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -104.919
flat angles P-C4'-P energy: -65.829
tors. eta vs tors. theta energy: -125.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1130.642606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.642606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.642606 (E_RNA)
where:
Base-Base interactions energy: -737.955
where: short stacking energy: -320.457
Base-Backbone interact. energy: -1.977
local terms energy: -390.710974
where:
bonds (distance) C4'-P energy: -89.377
bonds (distance) P-C4' energy: -98.504
flat angles C4'-P-C4' energy: -95.560
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -65.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -864.067231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.067231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.067231 (E_RNA)
where:
Base-Base interactions energy: -515.042
where: short stacking energy: -252.428
Base-Backbone interact. energy: 0.448
local terms energy: -349.473662
where:
bonds (distance) C4'-P energy: -74.656
bonds (distance) P-C4' energy: -100.118
flat angles C4'-P-C4' energy: -85.886
flat angles P-C4'-P energy: -48.932
tors. eta vs tors. theta energy: -39.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -405.765230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.765230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.765230 (E_RNA)
where:
Base-Base interactions energy: -125.534
where: short stacking energy: -114.305
Base-Backbone interact. energy: 1.109
local terms energy: -281.339735
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -79.066
flat angles C4'-P-C4' energy: -75.116
flat angles P-C4'-P energy: -56.134
tors. eta vs tors. theta energy: 23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1869.537808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.537808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.537808 (E_RNA)
where:
Base-Base interactions energy: -1284.713
where: short stacking energy: -571.938
Base-Backbone interact. energy: -1.701
local terms energy: -583.124202
where:
bonds (distance) C4'-P energy: -106.134
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -106.699
flat angles P-C4'-P energy: -89.831
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: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1762.830259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.830259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.830259 (E_RNA)
where:
Base-Base interactions energy: -1183.756
where: short stacking energy: -528.080
Base-Backbone interact. energy: -1.934
local terms energy: -577.139588
where:
bonds (distance) C4'-P energy: -103.289
bonds (distance) P-C4' energy: -120.866
flat angles C4'-P-C4' energy: -119.096
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -159.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1744.963495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.963495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.963495 (E_RNA)
where:
Base-Base interactions energy: -1195.916
where: short stacking energy: -525.741
Base-Backbone interact. energy: 0.708
local terms energy: -549.755664
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -98.420
flat angles C4'-P-C4' energy: -108.308
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -166.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1616.161989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.161989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.161989 (E_RNA)
where:
Base-Base interactions energy: -1109.445
where: short stacking energy: -476.883
Base-Backbone interact. energy: 0.560
local terms energy: -507.277699
where:
bonds (distance) C4'-P energy: -104.129
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -117.826
flat angles P-C4'-P energy: -64.424
tors. eta vs tors. theta energy: -132.014
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: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1617.874157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.874157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.874157 (E_RNA)
where:
Base-Base interactions energy: -1087.561
where: short stacking energy: -452.422
Base-Backbone interact. energy: -2.169
local terms energy: -528.143998
where:
bonds (distance) C4'-P energy: -98.192
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -117.856
flat angles P-C4'-P energy: -67.673
tors. eta vs tors. theta energy: -131.670
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: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1482.684149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.684149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.684149 (E_RNA)
where:
Base-Base interactions energy: -1021.658
where: short stacking energy: -447.813
Base-Backbone interact. energy: -1.809
local terms energy: -459.216673
where:
bonds (distance) C4'-P energy: -92.359
bonds (distance) P-C4' energy: -91.786
flat angles C4'-P-C4' energy: -94.624
flat angles P-C4'-P energy: -56.818
tors. eta vs tors. theta energy: -123.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1479.448832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.448832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.448832 (E_RNA)
where:
Base-Base interactions energy: -1014.450
where: short stacking energy: -442.608
Base-Backbone interact. energy: 6.015
local terms energy: -471.013908
where:
bonds (distance) C4'-P energy: -97.635
bonds (distance) P-C4' energy: -96.216
flat angles C4'-P-C4' energy: -97.418
flat angles P-C4'-P energy: -65.748
tors. eta vs tors. theta energy: -113.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1151.099582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.099582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.099582 (E_RNA)
where:
Base-Base interactions energy: -752.216
where: short stacking energy: -329.949
Base-Backbone interact. energy: -3.573
local terms energy: -395.311109
where:
bonds (distance) C4'-P energy: -84.494
bonds (distance) P-C4' energy: -92.236
flat angles C4'-P-C4' energy: -90.537
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -65.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -865.938501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.938501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.938501 (E_RNA)
where:
Base-Base interactions energy: -535.755
where: short stacking energy: -242.225
Base-Backbone interact. energy: 0.828
local terms energy: -331.011642
where:
bonds (distance) C4'-P energy: -95.790
bonds (distance) P-C4' energy: -99.889
flat angles C4'-P-C4' energy: -74.200
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -8.824
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -414.836227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.836227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.836227 (E_RNA)
where:
Base-Base interactions energy: -141.454
where: short stacking energy: -117.704
Base-Backbone interact. energy: 3.073
local terms energy: -276.454795
where:
bonds (distance) C4'-P energy: -103.410
bonds (distance) P-C4' energy: -79.786
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: 13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1858.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.470178 (E_RNA)
where:
Base-Base interactions energy: -1295.517
where: short stacking energy: -581.999
Base-Backbone interact. energy: -1.395
local terms energy: -561.558467
where:
bonds (distance) C4'-P energy: -90.904
bonds (distance) P-C4' energy: -99.137
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -85.489
tors. eta vs tors. theta energy: -163.976
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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1753.181398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.181398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.181398 (E_RNA)
where:
Base-Base interactions energy: -1176.374
where: short stacking energy: -522.533
Base-Backbone interact. energy: -1.509
local terms energy: -575.298278
where:
bonds (distance) C4'-P energy: -116.287
bonds (distance) P-C4' energy: -100.928
flat angles C4'-P-C4' energy: -120.187
flat angles P-C4'-P energy: -79.227
tors. eta vs tors. theta energy: -158.670
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: 232
Temperature: 1.000000
Total energy: -1727.892580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.892580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.892580 (E_RNA)
where:
Base-Base interactions energy: -1181.334
where: short stacking energy: -546.387
Base-Backbone interact. energy: 0.455
local terms energy: -547.013118
where:
bonds (distance) C4'-P energy: -98.433
bonds (distance) P-C4' energy: -106.669
flat angles C4'-P-C4' energy: -113.432
flat angles P-C4'-P energy: -70.961
tors. eta vs tors. theta energy: -157.518
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: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1648.935408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.935408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.935408 (E_RNA)
where:
Base-Base interactions energy: -1105.897
where: short stacking energy: -481.276
Base-Backbone interact. energy: 0.757
local terms energy: -543.795060
where:
bonds (distance) C4'-P energy: -103.859
bonds (distance) P-C4' energy: -98.963
flat angles C4'-P-C4' energy: -111.109
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -140.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1580.700406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.700406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.700406 (E_RNA)
where:
Base-Base interactions energy: -1068.709
where: short stacking energy: -455.287
Base-Backbone interact. energy: -1.342
local terms energy: -510.649129
where:
bonds (distance) C4'-P energy: -102.192
bonds (distance) P-C4' energy: -97.929
flat angles C4'-P-C4' energy: -113.136
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -134.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1467.296390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.296390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.296390 (E_RNA)
where:
Base-Base interactions energy: -980.334
where: short stacking energy: -430.769
Base-Backbone interact. energy: 2.779
local terms energy: -489.741019
where:
bonds (distance) C4'-P energy: -103.482
bonds (distance) P-C4' energy: -102.889
flat angles C4'-P-C4' energy: -104.839
flat angles P-C4'-P energy: -59.039
tors. eta vs tors. theta energy: -119.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1443.935924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.935924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.935924 (E_RNA)
where:
Base-Base interactions energy: -992.739
where: short stacking energy: -433.650
Base-Backbone interact. energy: -1.646
local terms energy: -449.551458
where:
bonds (distance) C4'-P energy: -86.481
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -98.101
flat angles P-C4'-P energy: -55.872
tors. eta vs tors. theta energy: -120.019
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1173.809768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.809768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.809768 (E_RNA)
where:
Base-Base interactions energy: -787.801
where: short stacking energy: -324.887
Base-Backbone interact. energy: -3.532
local terms energy: -382.475878
where:
bonds (distance) C4'-P energy: -87.863
bonds (distance) P-C4' energy: -85.623
flat angles C4'-P-C4' energy: -89.484
flat angles P-C4'-P energy: -54.366
tors. eta vs tors. theta energy: -65.140
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: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -861.448269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.448269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.448269 (E_RNA)
where:
Base-Base interactions energy: -486.714
where: short stacking energy: -241.438
Base-Backbone interact. energy: 1.245
local terms energy: -375.979668
where:
bonds (distance) C4'-P energy: -86.993
bonds (distance) P-C4' energy: -89.374
flat angles C4'-P-C4' energy: -84.091
flat angles P-C4'-P energy: -63.205
tors. eta vs tors. theta energy: -52.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -436.301561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.301561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.301561 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -136.354
Base-Backbone interact. energy: 0.599
local terms energy: -266.594164
where:
bonds (distance) C4'-P energy: -79.100
bonds (distance) P-C4' energy: -94.232
flat angles C4'-P-C4' energy: -73.025
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: 19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1840.656270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.656270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.656270 (E_RNA)
where:
Base-Base interactions energy: -1270.291
where: short stacking energy: -553.421
Base-Backbone interact. energy: -1.868
local terms energy: -568.496819
where:
bonds (distance) C4'-P energy: -93.640
bonds (distance) P-C4' energy: -107.459
flat angles C4'-P-C4' energy: -124.755
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -158.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1812.127027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.127027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.127027 (E_RNA)
where:
Base-Base interactions energy: -1232.012
where: short stacking energy: -578.552
Base-Backbone interact. energy: 0.137
local terms energy: -580.252257
where:
bonds (distance) C4'-P energy: -90.146
bonds (distance) P-C4' energy: -105.780
flat angles C4'-P-C4' energy: -118.118
flat angles P-C4'-P energy: -96.720
tors. eta vs tors. theta energy: -169.489
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: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1735.356835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.356835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.356835 (E_RNA)
where:
Base-Base interactions energy: -1182.291
where: short stacking energy: -537.971
Base-Backbone interact. energy: -2.908
local terms energy: -550.157928
where:
bonds (distance) C4'-P energy: -88.225
bonds (distance) P-C4' energy: -111.200
flat angles C4'-P-C4' energy: -114.024
flat angles P-C4'-P energy: -75.083
tors. eta vs tors. theta energy: -161.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1653.953756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.953756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.953756 (E_RNA)
where:
Base-Base interactions energy: -1105.920
where: short stacking energy: -505.281
Base-Backbone interact. energy: -1.202
local terms energy: -546.832055
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -120.840
flat angles P-C4'-P energy: -81.746
tors. eta vs tors. theta energy: -141.140
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1585.834900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.834900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.834900 (E_RNA)
where:
Base-Base interactions energy: -1091.308
where: short stacking energy: -450.876
Base-Backbone interact. energy: -3.113
local terms energy: -491.413836
where:
bonds (distance) C4'-P energy: -79.178
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: -131.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1479.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.692261 (E_RNA)
where:
Base-Base interactions energy: -979.147
where: short stacking energy: -419.112
Base-Backbone interact. energy: 0.238
local terms energy: -500.784015
where:
bonds (distance) C4'-P energy: -106.222
bonds (distance) P-C4' energy: -93.666
flat angles C4'-P-C4' energy: -103.693
flat angles P-C4'-P energy: -78.274
tors. eta vs tors. theta energy: -118.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1433.772164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.772164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.772164 (E_RNA)
where:
Base-Base interactions energy: -949.802
where: short stacking energy: -399.140
Base-Backbone interact. energy: 0.774
local terms energy: -484.743722
where:
bonds (distance) C4'-P energy: -101.770
bonds (distance) P-C4' energy: -91.341
flat angles C4'-P-C4' energy: -107.709
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -112.522
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: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1213.732302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.732302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.732302 (E_RNA)
where:
Base-Base interactions energy: -806.647
where: short stacking energy: -338.455
Base-Backbone interact. energy: -2.508
local terms energy: -404.576991
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -95.913
flat angles C4'-P-C4' energy: -101.348
flat angles P-C4'-P energy: -62.171
tors. eta vs tors. theta energy: -68.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -820.707531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.707531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.707531 (E_RNA)
where:
Base-Base interactions energy: -491.115
where: short stacking energy: -240.270
Base-Backbone interact. energy: 1.740
local terms energy: -331.332587
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -76.131
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -26.495
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -450.132190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.132190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.132190 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -113.197
Base-Backbone interact. energy: 8.598
local terms energy: -309.754786
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -112.620
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: 14.922
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: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1870.059994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.059994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.059994 (E_RNA)
where:
Base-Base interactions energy: -1298.870
where: short stacking energy: -556.000
Base-Backbone interact. energy: -1.494
local terms energy: -569.695167
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -110.106
flat angles C4'-P-C4' energy: -107.977
flat angles P-C4'-P energy: -80.081
tors. eta vs tors. theta energy: -164.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1792.460129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.460129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.460129 (E_RNA)
where:
Base-Base interactions energy: -1210.003
where: short stacking energy: -537.834
Base-Backbone interact. energy: -1.819
local terms energy: -580.638580
where:
bonds (distance) C4'-P energy: -96.594
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -125.769
flat angles P-C4'-P energy: -85.090
tors. eta vs tors. theta energy: -169.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1718.569928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.569928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.569928 (E_RNA)
where:
Base-Base interactions energy: -1143.941
where: short stacking energy: -517.778
Base-Backbone interact. energy: -1.949
local terms energy: -572.679840
where:
bonds (distance) C4'-P energy: -108.842
bonds (distance) P-C4' energy: -104.514
flat angles C4'-P-C4' energy: -123.130
flat angles P-C4'-P energy: -86.342
tors. eta vs tors. theta energy: -149.852
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: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1650.119460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.119460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.119460 (E_RNA)
where:
Base-Base interactions energy: -1120.939
where: short stacking energy: -498.120
Base-Backbone interact. energy: -1.521
local terms energy: -527.659717
where:
bonds (distance) C4'-P energy: -92.690
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -111.850
flat angles P-C4'-P energy: -77.242
tors. eta vs tors. theta energy: -146.012
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: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1571.376537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.376537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.376537 (E_RNA)
where:
Base-Base interactions energy: -1073.222
where: short stacking energy: -454.755
Base-Backbone interact. energy: 2.359
local terms energy: -500.513913
where:
bonds (distance) C4'-P energy: -86.933
bonds (distance) P-C4' energy: -114.641
flat angles C4'-P-C4' energy: -105.305
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -120.141
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: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1417.266333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.266333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.266333 (E_RNA)
where:
Base-Base interactions energy: -954.105
where: short stacking energy: -410.366
Base-Backbone interact. energy: -2.034
local terms energy: -461.126899
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -96.797
flat angles C4'-P-C4' energy: -81.956
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -110.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1396.054550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.054550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.054550 (E_RNA)
where:
Base-Base interactions energy: -940.604
where: short stacking energy: -384.975
Base-Backbone interact. energy: -0.442
local terms energy: -455.008880
where:
bonds (distance) C4'-P energy: -99.839
bonds (distance) P-C4' energy: -81.271
flat angles C4'-P-C4' energy: -97.899
flat angles P-C4'-P energy: -70.464
tors. eta vs tors. theta energy: -105.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1180.809182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.809182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.809182 (E_RNA)
where:
Base-Base interactions energy: -789.708
where: short stacking energy: -345.382
Base-Backbone interact. energy: 2.205
local terms energy: -393.306524
where:
bonds (distance) C4'-P energy: -81.465
bonds (distance) P-C4' energy: -95.386
flat angles C4'-P-C4' energy: -83.747
flat angles P-C4'-P energy: -64.244
tors. eta vs tors. theta energy: -68.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -839.400988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.400988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.400988 (E_RNA)
where:
Base-Base interactions energy: -498.261
where: short stacking energy: -247.333
Base-Backbone interact. energy: 1.312
local terms energy: -342.452248
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -83.923
flat angles C4'-P-C4' energy: -91.297
flat angles P-C4'-P energy: -50.847
tors. eta vs tors. theta energy: -34.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -416.493753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.493753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.493753 (E_RNA)
where:
Base-Base interactions energy: -169.339
where: short stacking energy: -143.435
Base-Backbone interact. energy: 2.461
local terms energy: -249.614932
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -86.855
flat angles C4'-P-C4' energy: -78.761
flat angles P-C4'-P energy: -33.023
tors. eta vs tors. theta energy: 13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1861.305494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.305494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.305494 (E_RNA)
where:
Base-Base interactions energy: -1265.992
where: short stacking energy: -532.343
Base-Backbone interact. energy: -0.952
local terms energy: -594.361464
where:
bonds (distance) C4'-P energy: -111.632
bonds (distance) P-C4' energy: -112.047
flat angles C4'-P-C4' energy: -119.164
flat angles P-C4'-P energy: -83.789
tors. eta vs tors. theta energy: -167.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1798.416231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.416231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.416231 (E_RNA)
where:
Base-Base interactions energy: -1208.870
where: short stacking energy: -547.613
Base-Backbone interact. energy: -1.906
local terms energy: -587.640303
where:
bonds (distance) C4'-P energy: -107.104
bonds (distance) P-C4' energy: -115.728
flat angles C4'-P-C4' energy: -114.148
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -175.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1753.260787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.260787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.260787 (E_RNA)
where:
Base-Base interactions energy: -1192.001
where: short stacking energy: -509.020
Base-Backbone interact. energy: -1.225
local terms energy: -560.034795
where:
bonds (distance) C4'-P energy: -104.746
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -121.545
flat angles P-C4'-P energy: -73.048
tors. eta vs tors. theta energy: -147.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1617.895303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.895303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.895303 (E_RNA)
where:
Base-Base interactions energy: -1088.235
where: short stacking energy: -480.688
Base-Backbone interact. energy: -0.953
local terms energy: -528.707724
where:
bonds (distance) C4'-P energy: -104.811
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -107.003
flat angles P-C4'-P energy: -70.909
tors. eta vs tors. theta energy: -135.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1600.639594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.639594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.639594 (E_RNA)
where:
Base-Base interactions energy: -1102.408
where: short stacking energy: -474.380
Base-Backbone interact. energy: -2.576
local terms energy: -495.656238
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -91.901
flat angles C4'-P-C4' energy: -110.959
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -139.095
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: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1415.186991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.186991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.186991 (E_RNA)
where:
Base-Base interactions energy: -930.346
where: short stacking energy: -424.097
Base-Backbone interact. energy: -0.402
local terms energy: -484.438292
where:
bonds (distance) C4'-P energy: -91.273
bonds (distance) P-C4' energy: -102.222
flat angles C4'-P-C4' energy: -116.579
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -104.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1437.600101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.600101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.600101 (E_RNA)
where:
Base-Base interactions energy: -949.426
where: short stacking energy: -402.916
Base-Backbone interact. energy: -0.915
local terms energy: -487.258917
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -110.477
flat angles P-C4'-P energy: -73.351
tors. eta vs tors. theta energy: -103.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1211.979983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.979983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.979983 (E_RNA)
where:
Base-Base interactions energy: -781.043
where: short stacking energy: -337.599
Base-Backbone interact. energy: 1.295
local terms energy: -432.231896
where:
bonds (distance) C4'-P energy: -78.280
bonds (distance) P-C4' energy: -105.902
flat angles C4'-P-C4' energy: -95.601
flat angles P-C4'-P energy: -74.001
tors. eta vs tors. theta energy: -78.448
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: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -859.044125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.044125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.044125 (E_RNA)
where:
Base-Base interactions energy: -507.430
where: short stacking energy: -251.422
Base-Backbone interact. energy: 0.327
local terms energy: -351.940966
where:
bonds (distance) C4'-P energy: -77.042
bonds (distance) P-C4' energy: -93.718
flat angles C4'-P-C4' energy: -82.699
flat angles P-C4'-P energy: -58.764
tors. eta vs tors. theta energy: -39.718
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: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -411.955121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.955121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.955121 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -128.675
Base-Backbone interact. energy: -0.859
local terms energy: -270.681652
where:
bonds (distance) C4'-P energy: -75.792
bonds (distance) P-C4' energy: -90.759
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: 20.562
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: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1914.012875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.012875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.012875 (E_RNA)
where:
Base-Base interactions energy: -1287.509
where: short stacking energy: -577.133
Base-Backbone interact. energy: -0.859
local terms energy: -625.645037
where:
bonds (distance) C4'-P energy: -114.862
bonds (distance) P-C4' energy: -102.184
flat angles C4'-P-C4' energy: -129.925
flat angles P-C4'-P energy: -96.443
tors. eta vs tors. theta energy: -182.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1787.275437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.275437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.275437 (E_RNA)
where:
Base-Base interactions energy: -1220.249
where: short stacking energy: -569.027
Base-Backbone interact. energy: 0.178
local terms energy: -567.204404
where:
bonds (distance) C4'-P energy: -105.280
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -122.964
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -164.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1752.748405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.748405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.748405 (E_RNA)
where:
Base-Base interactions energy: -1175.655
where: short stacking energy: -535.703
Base-Backbone interact. energy: -0.709
local terms energy: -576.384129
where:
bonds (distance) C4'-P energy: -103.944
bonds (distance) P-C4' energy: -121.667
flat angles C4'-P-C4' energy: -113.224
flat angles P-C4'-P energy: -82.904
tors. eta vs tors. theta energy: -154.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1663.558774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.558774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.558774 (E_RNA)
where:
Base-Base interactions energy: -1126.667
where: short stacking energy: -520.330
Base-Backbone interact. energy: -0.927
local terms energy: -535.964761
where:
bonds (distance) C4'-P energy: -98.257
bonds (distance) P-C4' energy: -114.135
flat angles C4'-P-C4' energy: -104.363
flat angles P-C4'-P energy: -67.672
tors. eta vs tors. theta energy: -151.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1604.380238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.380238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.380238 (E_RNA)
where:
Base-Base interactions energy: -1104.730
where: short stacking energy: -476.921
Base-Backbone interact. energy: 1.221
local terms energy: -500.871131
where:
bonds (distance) C4'-P energy: -98.738
bonds (distance) P-C4' energy: -98.672
flat angles C4'-P-C4' energy: -96.084
flat angles P-C4'-P energy: -65.190
tors. eta vs tors. theta energy: -142.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1509.454804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.454804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.454804 (E_RNA)
where:
Base-Base interactions energy: -1016.062
where: short stacking energy: -456.869
Base-Backbone interact. energy: -1.712
local terms energy: -491.680886
where:
bonds (distance) C4'-P energy: -93.838
bonds (distance) P-C4' energy: -90.828
flat angles C4'-P-C4' energy: -110.547
flat angles P-C4'-P energy: -67.128
tors. eta vs tors. theta energy: -129.339
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: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1412.669429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.669429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.669429 (E_RNA)
where:
Base-Base interactions energy: -971.438
where: short stacking energy: -402.560
Base-Backbone interact. energy: -2.808
local terms energy: -438.423724
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -91.950
flat angles C4'-P-C4' energy: -89.424
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -107.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1220.318919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.318919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.318919 (E_RNA)
where:
Base-Base interactions energy: -823.767
where: short stacking energy: -354.405
Base-Backbone interact. energy: 1.275
local terms energy: -397.827243
where:
bonds (distance) C4'-P energy: -87.468
bonds (distance) P-C4' energy: -89.463
flat angles C4'-P-C4' energy: -78.170
flat angles P-C4'-P energy: -57.436
tors. eta vs tors. theta energy: -85.290
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: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -882.700335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.700335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.700335 (E_RNA)
where:
Base-Base interactions energy: -538.779
where: short stacking energy: -248.010
Base-Backbone interact. energy: 5.190
local terms energy: -349.111276
where:
bonds (distance) C4'-P energy: -82.184
bonds (distance) P-C4' energy: -99.158
flat angles C4'-P-C4' energy: -83.305
flat angles P-C4'-P energy: -52.359
tors. eta vs tors. theta energy: -32.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -429.689808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.689808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.689808 (E_RNA)
where:
Base-Base interactions energy: -133.729
where: short stacking energy: -128.625
Base-Backbone interact. energy: 3.428
local terms energy: -299.388454
where:
bonds (distance) C4'-P energy: -91.918
bonds (distance) P-C4' energy: -86.726
flat angles C4'-P-C4' energy: -85.403
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: 15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1910.240348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.240348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.240348 (E_RNA)
where:
Base-Base interactions energy: -1281.618
where: short stacking energy: -582.030
Base-Backbone interact. energy: -3.076
local terms energy: -625.545586
where:
bonds (distance) C4'-P energy: -107.023
bonds (distance) P-C4' energy: -118.965
flat angles C4'-P-C4' energy: -130.873
flat angles P-C4'-P energy: -96.385
tors. eta vs tors. theta energy: -172.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1799.284055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.284055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.284055 (E_RNA)
where:
Base-Base interactions energy: -1226.595
where: short stacking energy: -540.492
Base-Backbone interact. energy: -0.683
local terms energy: -572.006036
where:
bonds (distance) C4'-P energy: -97.670
bonds (distance) P-C4' energy: -119.228
flat angles C4'-P-C4' energy: -113.300
flat angles P-C4'-P energy: -78.611
tors. eta vs tors. theta energy: -163.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1739.137910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.137910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.137910 (E_RNA)
where:
Base-Base interactions energy: -1198.088
where: short stacking energy: -511.835
Base-Backbone interact. energy: -5.663
local terms energy: -535.386540
where:
bonds (distance) C4'-P energy: -98.121
bonds (distance) P-C4' energy: -81.793
flat angles C4'-P-C4' energy: -114.165
flat angles P-C4'-P energy: -84.269
tors. eta vs tors. theta energy: -157.039
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: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1659.393063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.393063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.393063 (E_RNA)
where:
Base-Base interactions energy: -1124.568
where: short stacking energy: -493.316
Base-Backbone interact. energy: -2.187
local terms energy: -532.637900
where:
bonds (distance) C4'-P energy: -100.846
bonds (distance) P-C4' energy: -98.855
flat angles C4'-P-C4' energy: -105.004
flat angles P-C4'-P energy: -75.796
tors. eta vs tors. theta energy: -152.136
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1612.897275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.897275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.897275 (E_RNA)
where:
Base-Base interactions energy: -1089.808
where: short stacking energy: -470.614
Base-Backbone interact. energy: -2.255
local terms energy: -520.834153
where:
bonds (distance) C4'-P energy: -88.027
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -109.566
flat angles P-C4'-P energy: -72.659
tors. eta vs tors. theta energy: -137.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1530.244202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.244202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.244202 (E_RNA)
where:
Base-Base interactions energy: -1051.659
where: short stacking energy: -457.450
Base-Backbone interact. energy: -1.738
local terms energy: -476.847274
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -103.718
flat angles C4'-P-C4' energy: -95.371
flat angles P-C4'-P energy: -81.018
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: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1418.033538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.033538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.033538 (E_RNA)
where:
Base-Base interactions energy: -923.677
where: short stacking energy: -427.269
Base-Backbone interact. energy: 2.891
local terms energy: -497.246800
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -104.281
flat angles P-C4'-P energy: -79.125
tors. eta vs tors. theta energy: -120.408
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1255.971369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.971369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.971369 (E_RNA)
where:
Base-Base interactions energy: -837.345
where: short stacking energy: -371.334
Base-Backbone interact. energy: -2.180
local terms energy: -416.446719
where:
bonds (distance) C4'-P energy: -94.904
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -91.917
flat angles P-C4'-P energy: -50.656
tors. eta vs tors. theta energy: -93.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -934.350235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.350235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.350235 (E_RNA)
where:
Base-Base interactions energy: -580.043
where: short stacking energy: -259.684
Base-Backbone interact. energy: -0.840
local terms energy: -353.467236
where:
bonds (distance) C4'-P energy: -86.791
bonds (distance) P-C4' energy: -96.577
flat angles C4'-P-C4' energy: -86.993
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -409.568543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.568543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.568543 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -106.664
Base-Backbone interact. energy: -2.363
local terms energy: -253.383595
where:
bonds (distance) C4'-P energy: -75.053
bonds (distance) P-C4' energy: -94.291
flat angles C4'-P-C4' energy: -73.986
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: 18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1868.943555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.943555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.943555 (E_RNA)
where:
Base-Base interactions energy: -1267.468
where: short stacking energy: -558.357
Base-Backbone interact. energy: -0.655
local terms energy: -600.820857
where:
bonds (distance) C4'-P energy: -111.471
bonds (distance) P-C4' energy: -109.759
flat angles C4'-P-C4' energy: -122.466
flat angles P-C4'-P energy: -77.723
tors. eta vs tors. theta energy: -179.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1815.218795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.218795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.218795 (E_RNA)
where:
Base-Base interactions energy: -1239.817
where: short stacking energy: -553.630
Base-Backbone interact. energy: -3.952
local terms energy: -571.449680
where:
bonds (distance) C4'-P energy: -104.617
bonds (distance) P-C4' energy: -105.693
flat angles C4'-P-C4' energy: -124.512
flat angles P-C4'-P energy: -78.515
tors. eta vs tors. theta energy: -158.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1776.647056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.647056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.647056 (E_RNA)
where:
Base-Base interactions energy: -1207.328
where: short stacking energy: -523.360
Base-Backbone interact. energy: 1.421
local terms energy: -570.740477
where:
bonds (distance) C4'-P energy: -100.873
bonds (distance) P-C4' energy: -112.874
flat angles C4'-P-C4' energy: -120.707
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -156.561
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: 238
Temperature: 1.050000
Total energy: -1683.233730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.233730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.233730 (E_RNA)
where:
Base-Base interactions energy: -1120.480
where: short stacking energy: -505.488
Base-Backbone interact. energy: -0.728
local terms energy: -562.024832
where:
bonds (distance) C4'-P energy: -85.680
bonds (distance) P-C4' energy: -128.092
flat angles C4'-P-C4' energy: -119.443
flat angles P-C4'-P energy: -73.625
tors. eta vs tors. theta energy: -155.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1586.084694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.084694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.084694 (E_RNA)
where:
Base-Base interactions energy: -1092.423
where: short stacking energy: -464.090
Base-Backbone interact. energy: -2.834
local terms energy: -490.827884
where:
bonds (distance) C4'-P energy: -103.025
bonds (distance) P-C4' energy: -93.174
flat angles C4'-P-C4' energy: -96.655
flat angles P-C4'-P energy: -76.136
tors. eta vs tors. theta energy: -121.838
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1560.107887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.107887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.107887 (E_RNA)
where:
Base-Base interactions energy: -1054.679
where: short stacking energy: -447.904
Base-Backbone interact. energy: -0.977
local terms energy: -504.451648
where:
bonds (distance) C4'-P energy: -83.874
bonds (distance) P-C4' energy: -88.543
flat angles C4'-P-C4' energy: -119.789
flat angles P-C4'-P energy: -86.588
tors. eta vs tors. theta energy: -125.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1367.813735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.813735 (E_RNA)
where:
Base-Base interactions energy: -944.191
where: short stacking energy: -413.477
Base-Backbone interact. energy: 5.085
local terms energy: -428.707721
where:
bonds (distance) C4'-P energy: -81.323
bonds (distance) P-C4' energy: -86.480
flat angles C4'-P-C4' energy: -95.274
flat angles P-C4'-P energy: -57.859
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: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1207.013401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.013401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.013401 (E_RNA)
where:
Base-Base interactions energy: -808.297
where: short stacking energy: -335.420
Base-Backbone interact. energy: 0.288
local terms energy: -399.004425
where:
bonds (distance) C4'-P energy: -104.312
bonds (distance) P-C4' energy: -98.447
flat angles C4'-P-C4' energy: -75.960
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -66.591
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: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -883.411843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.411843 (E_RNA)
where:
Base-Base interactions energy: -511.826
where: short stacking energy: -241.453
Base-Backbone interact. energy: -1.714
local terms energy: -369.872233
where:
bonds (distance) C4'-P energy: -82.894
bonds (distance) P-C4' energy: -93.398
flat angles C4'-P-C4' energy: -101.004
flat angles P-C4'-P energy: -66.808
tors. eta vs tors. theta energy: -25.768
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: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -420.888732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.888732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.888732 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -115.129
Base-Backbone interact. energy: 0.744
local terms energy: -292.589589
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -82.826
flat angles P-C4'-P energy: -51.597
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1835.597747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.597747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.597747 (E_RNA)
where:
Base-Base interactions energy: -1243.051
where: short stacking energy: -565.157
Base-Backbone interact. energy: -0.751
local terms energy: -591.795041
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -119.456
flat angles C4'-P-C4' energy: -114.595
flat angles P-C4'-P energy: -86.331
tors. eta vs tors. theta energy: -163.741
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: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1814.974261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.974261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.974261 (E_RNA)
where:
Base-Base interactions energy: -1253.807
where: short stacking energy: -524.728
Base-Backbone interact. energy: -1.560
local terms energy: -559.606555
where:
bonds (distance) C4'-P energy: -93.609
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -123.778
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -149.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1743.608651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.608651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.608651 (E_RNA)
where:
Base-Base interactions energy: -1174.399
where: short stacking energy: -517.922
Base-Backbone interact. energy: -2.666
local terms energy: -566.543437
where:
bonds (distance) C4'-P energy: -111.342
bonds (distance) P-C4' energy: -110.364
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -156.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1675.419998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.419998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.419998 (E_RNA)
where:
Base-Base interactions energy: -1131.944
where: short stacking energy: -500.178
Base-Backbone interact. energy: -0.693
local terms energy: -542.783376
where:
bonds (distance) C4'-P energy: -97.410
bonds (distance) P-C4' energy: -101.646
flat angles C4'-P-C4' energy: -115.305
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -153.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1636.103598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.103598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.103598 (E_RNA)
where:
Base-Base interactions energy: -1136.692
where: short stacking energy: -478.731
Base-Backbone interact. energy: -1.792
local terms energy: -497.619560
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -97.353
flat angles C4'-P-C4' energy: -110.675
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -134.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1525.609998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.609998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.609998 (E_RNA)
where:
Base-Base interactions energy: -1022.639
where: short stacking energy: -426.619
Base-Backbone interact. energy: -0.847
local terms energy: -502.123810
where:
bonds (distance) C4'-P energy: -98.819
bonds (distance) P-C4' energy: -95.247
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -67.658
tors. eta vs tors. theta energy: -129.878
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: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1445.921601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.921601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.921601 (E_RNA)
where:
Base-Base interactions energy: -978.168
where: short stacking energy: -426.372
Base-Backbone interact. energy: 1.426
local terms energy: -469.180091
where:
bonds (distance) C4'-P energy: -85.825
bonds (distance) P-C4' energy: -99.590
flat angles C4'-P-C4' energy: -104.499
flat angles P-C4'-P energy: -55.037
tors. eta vs tors. theta energy: -124.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1178.788828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.788828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.788828 (E_RNA)
where:
Base-Base interactions energy: -775.736
where: short stacking energy: -348.363
Base-Backbone interact. energy: -3.320
local terms energy: -399.732803
where:
bonds (distance) C4'-P energy: -78.572
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -75.496
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: -76.759
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: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -912.512070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.512070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.512070 (E_RNA)
where:
Base-Base interactions energy: -567.846
where: short stacking energy: -264.624
Base-Backbone interact. energy: 2.472
local terms energy: -347.137581
where:
bonds (distance) C4'-P energy: -75.798
bonds (distance) P-C4' energy: -96.266
flat angles C4'-P-C4' energy: -88.619
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -43.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -454.762618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.762618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.762618 (E_RNA)
where:
Base-Base interactions energy: -166.532
where: short stacking energy: -138.732
Base-Backbone interact. energy: -1.327
local terms energy: -286.904355
where:
bonds (distance) C4'-P energy: -100.946
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -39.456
tors. eta vs tors. theta energy: -1.072
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: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1869.828070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.828070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.828070 (E_RNA)
where:
Base-Base interactions energy: -1264.087
where: short stacking energy: -547.676
Base-Backbone interact. energy: -2.449
local terms energy: -603.292346
where:
bonds (distance) C4'-P energy: -111.264
bonds (distance) P-C4' energy: -113.725
flat angles C4'-P-C4' energy: -116.992
flat angles P-C4'-P energy: -91.053
tors. eta vs tors. theta energy: -170.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1786.408610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.408610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.408610 (E_RNA)
where:
Base-Base interactions energy: -1224.519
where: short stacking energy: -562.969
Base-Backbone interact. energy: 1.772
local terms energy: -563.661230
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -121.107
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -157.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1753.120149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.120149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.120149 (E_RNA)
where:
Base-Base interactions energy: -1179.956
where: short stacking energy: -535.903
Base-Backbone interact. energy: 2.403
local terms energy: -575.567262
where:
bonds (distance) C4'-P energy: -102.166
bonds (distance) P-C4' energy: -105.097
flat angles C4'-P-C4' energy: -127.398
flat angles P-C4'-P energy: -80.547
tors. eta vs tors. theta energy: -160.360
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: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1650.424260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.424260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.424260 (E_RNA)
where:
Base-Base interactions energy: -1131.679
where: short stacking energy: -499.042
Base-Backbone interact. energy: 1.534
local terms energy: -520.279138
where:
bonds (distance) C4'-P energy: -92.756
bonds (distance) P-C4' energy: -92.025
flat angles C4'-P-C4' energy: -106.336
flat angles P-C4'-P energy: -87.874
tors. eta vs tors. theta energy: -141.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1608.659533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.659533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.659533 (E_RNA)
where:
Base-Base interactions energy: -1089.593
where: short stacking energy: -493.515
Base-Backbone interact. energy: -2.847
local terms energy: -516.219777
where:
bonds (distance) C4'-P energy: -83.698
bonds (distance) P-C4' energy: -93.957
flat angles C4'-P-C4' energy: -115.094
flat angles P-C4'-P energy: -76.583
tors. eta vs tors. theta energy: -146.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1508.244678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.244678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.244678 (E_RNA)
where:
Base-Base interactions energy: -1009.569
where: short stacking energy: -436.743
Base-Backbone interact. energy: -0.407
local terms energy: -498.267870
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -85.223
flat angles C4'-P-C4' energy: -117.854
flat angles P-C4'-P energy: -63.917
tors. eta vs tors. theta energy: -128.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1464.951121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.951121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.951121 (E_RNA)
where:
Base-Base interactions energy: -991.068
where: short stacking energy: -421.737
Base-Backbone interact. energy: 3.304
local terms energy: -477.187505
where:
bonds (distance) C4'-P energy: -85.778
bonds (distance) P-C4' energy: -107.354
flat angles C4'-P-C4' energy: -90.714
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -122.032
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: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1186.142780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.142780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.142780 (E_RNA)
where:
Base-Base interactions energy: -756.540
where: short stacking energy: -339.792
Base-Backbone interact. energy: -0.587
local terms energy: -429.015948
where:
bonds (distance) C4'-P energy: -95.919
bonds (distance) P-C4' energy: -98.215
flat angles C4'-P-C4' energy: -90.827
flat angles P-C4'-P energy: -67.034
tors. eta vs tors. theta energy: -77.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -919.541024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.541024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.541024 (E_RNA)
where:
Base-Base interactions energy: -557.243
where: short stacking energy: -258.539
Base-Backbone interact. energy: -1.709
local terms energy: -360.589658
where:
bonds (distance) C4'-P energy: -99.714
bonds (distance) P-C4' energy: -88.157
flat angles C4'-P-C4' energy: -87.354
flat angles P-C4'-P energy: -48.530
tors. eta vs tors. theta energy: -36.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -426.320437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.320437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.320437 (E_RNA)
where:
Base-Base interactions energy: -162.189
where: short stacking energy: -136.527
Base-Backbone interact. energy: 2.661
local terms energy: -266.792575
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -86.780
flat angles C4'-P-C4' energy: -71.973
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1860.818521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.818521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.818521 (E_RNA)
where:
Base-Base interactions energy: -1277.204
where: short stacking energy: -576.959
Base-Backbone interact. energy: -0.281
local terms energy: -583.333596
where:
bonds (distance) C4'-P energy: -95.237
bonds (distance) P-C4' energy: -113.966
flat angles C4'-P-C4' energy: -115.281
flat angles P-C4'-P energy: -86.948
tors. eta vs tors. theta energy: -171.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1792.158224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.158224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.158224 (E_RNA)
where:
Base-Base interactions energy: -1210.704
where: short stacking energy: -554.341
Base-Backbone interact. energy: -1.653
local terms energy: -579.800959
where:
bonds (distance) C4'-P energy: -97.980
bonds (distance) P-C4' energy: -98.385
flat angles C4'-P-C4' energy: -130.906
flat angles P-C4'-P energy: -83.707
tors. eta vs tors. theta energy: -168.823
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1724.290773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.290773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.290773 (E_RNA)
where:
Base-Base interactions energy: -1165.639
where: short stacking energy: -531.145
Base-Backbone interact. energy: -1.599
local terms energy: -557.053418
where:
bonds (distance) C4'-P energy: -99.699
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -108.382
flat angles P-C4'-P energy: -81.975
tors. eta vs tors. theta energy: -163.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1667.312482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.312482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.312482 (E_RNA)
where:
Base-Base interactions energy: -1141.028
where: short stacking energy: -506.725
Base-Backbone interact. energy: 2.181
local terms energy: -528.466033
where:
bonds (distance) C4'-P energy: -103.293
bonds (distance) P-C4' energy: -102.033
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -77.307
tors. eta vs tors. theta energy: -137.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1569.424755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.424755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.424755 (E_RNA)
where:
Base-Base interactions energy: -1071.208
where: short stacking energy: -467.387
Base-Backbone interact. energy: -1.805
local terms energy: -496.411375
where:
bonds (distance) C4'-P energy: -91.022
bonds (distance) P-C4' energy: -87.275
flat angles C4'-P-C4' energy: -110.571
flat angles P-C4'-P energy: -80.746
tors. eta vs tors. theta energy: -126.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1475.604839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.604839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.604839 (E_RNA)
where:
Base-Base interactions energy: -1007.148
where: short stacking energy: -443.797
Base-Backbone interact. energy: 1.158
local terms energy: -469.614184
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -86.397
flat angles P-C4'-P energy: -82.177
tors. eta vs tors. theta energy: -113.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1474.707473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.707473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.707473 (E_RNA)
where:
Base-Base interactions energy: -1009.888
where: short stacking energy: -427.093
Base-Backbone interact. energy: -1.535
local terms energy: -463.284789
where:
bonds (distance) C4'-P energy: -85.260
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -102.889
flat angles P-C4'-P energy: -61.646
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: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1197.382364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.382364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.382364 (E_RNA)
where:
Base-Base interactions energy: -795.729
where: short stacking energy: -333.366
Base-Backbone interact. energy: -2.904
local terms energy: -398.749434
where:
bonds (distance) C4'-P energy: -82.171
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -106.169
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -75.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -877.369533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.369533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.369533 (E_RNA)
where:
Base-Base interactions energy: -498.117
where: short stacking energy: -238.810
Base-Backbone interact. energy: 2.217
local terms energy: -381.469151
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -104.545
flat angles C4'-P-C4' energy: -85.512
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: -33.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -415.162039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.162039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.162039 (E_RNA)
where:
Base-Base interactions energy: -144.587
where: short stacking energy: -117.597
Base-Backbone interact. energy: -0.552
local terms energy: -270.023121
where:
bonds (distance) C4'-P energy: -78.647
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -55.803
tors. eta vs tors. theta energy: 23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1874.502546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.502546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.502546 (E_RNA)
where:
Base-Base interactions energy: -1291.957
where: short stacking energy: -571.213
Base-Backbone interact. energy: -1.674
local terms energy: -580.871552
where:
bonds (distance) C4'-P energy: -111.600
bonds (distance) P-C4' energy: -97.099
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -171.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1832.785764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.785764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.785764 (E_RNA)
where:
Base-Base interactions energy: -1248.997
where: short stacking energy: -564.167
Base-Backbone interact. energy: 0.652
local terms energy: -584.440871
where:
bonds (distance) C4'-P energy: -110.932
bonds (distance) P-C4' energy: -108.785
flat angles C4'-P-C4' energy: -119.947
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -161.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1718.796691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.796691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.796691 (E_RNA)
where:
Base-Base interactions energy: -1152.655
where: short stacking energy: -525.387
Base-Backbone interact. energy: 3.309
local terms energy: -569.451193
where:
bonds (distance) C4'-P energy: -104.130
bonds (distance) P-C4' energy: -110.155
flat angles C4'-P-C4' energy: -115.168
flat angles P-C4'-P energy: -84.037
tors. eta vs tors. theta energy: -155.961
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: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1689.042598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.042598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.042598 (E_RNA)
where:
Base-Base interactions energy: -1180.202
where: short stacking energy: -492.189
Base-Backbone interact. energy: -1.712
local terms energy: -507.128846
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -94.547
flat angles C4'-P-C4' energy: -109.861
flat angles P-C4'-P energy: -68.120
tors. eta vs tors. theta energy: -129.349
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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1588.030878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.030878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.030878 (E_RNA)
where:
Base-Base interactions energy: -1084.824
where: short stacking energy: -470.014
Base-Backbone interact. energy: -0.176
local terms energy: -503.030225
where:
bonds (distance) C4'-P energy: -96.820
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -63.407
tors. eta vs tors. theta energy: -122.221
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: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1501.980658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.980658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.980658 (E_RNA)
where:
Base-Base interactions energy: -1025.975
where: short stacking energy: -453.484
Base-Backbone interact. energy: -0.318
local terms energy: -475.687150
where:
bonds (distance) C4'-P energy: -80.379
bonds (distance) P-C4' energy: -103.675
flat angles C4'-P-C4' energy: -102.814
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -122.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1433.974225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.974225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.974225 (E_RNA)
where:
Base-Base interactions energy: -1004.068
where: short stacking energy: -435.876
Base-Backbone interact. energy: -1.274
local terms energy: -428.632562
where:
bonds (distance) C4'-P energy: -77.405
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -94.885
flat angles P-C4'-P energy: -50.795
tors. eta vs tors. theta energy: -113.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1151.002003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.002003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.002003 (E_RNA)
where:
Base-Base interactions energy: -755.973
where: short stacking energy: -334.698
Base-Backbone interact. energy: -0.689
local terms energy: -394.339843
where:
bonds (distance) C4'-P energy: -75.287
bonds (distance) P-C4' energy: -94.721
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -69.057
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: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -792.002830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.002830 (E_RNA)
where:
Base-Base interactions energy: -482.643
where: short stacking energy: -241.570
Base-Backbone interact. energy: 4.600
local terms energy: -313.958952
where:
bonds (distance) C4'-P energy: -85.589
bonds (distance) P-C4' energy: -76.971
flat angles C4'-P-C4' energy: -82.197
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -32.474
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -434.852059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.852059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.852059 (E_RNA)
where:
Base-Base interactions energy: -147.399
where: short stacking energy: -102.776
Base-Backbone interact. energy: 1.059
local terms energy: -288.512474
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -88.660
flat angles C4'-P-C4' energy: -82.449
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: 24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1877.596373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.596373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.596373 (E_RNA)
where:
Base-Base interactions energy: -1278.292
where: short stacking energy: -563.768
Base-Backbone interact. energy: -2.817
local terms energy: -596.486617
where:
bonds (distance) C4'-P energy: -95.607
bonds (distance) P-C4' energy: -110.210
flat angles C4'-P-C4' energy: -125.356
flat angles P-C4'-P energy: -91.673
tors. eta vs tors. theta energy: -173.640
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: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1757.277265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.277265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.277265 (E_RNA)
where:
Base-Base interactions energy: -1194.440
where: short stacking energy: -543.781
Base-Backbone interact. energy: -1.220
local terms energy: -561.617401
where:
bonds (distance) C4'-P energy: -102.925
bonds (distance) P-C4' energy: -99.294
flat angles C4'-P-C4' energy: -125.940
flat angles P-C4'-P energy: -84.212
tors. eta vs tors. theta energy: -149.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1757.680296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.680296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.680296 (E_RNA)
where:
Base-Base interactions energy: -1180.465
where: short stacking energy: -540.511
Base-Backbone interact. energy: -1.078
local terms energy: -576.137756
where:
bonds (distance) C4'-P energy: -104.878
bonds (distance) P-C4' energy: -105.307
flat angles C4'-P-C4' energy: -122.272
flat angles P-C4'-P energy: -77.232
tors. eta vs tors. theta energy: -166.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1664.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.003055 (E_RNA)
where:
Base-Base interactions energy: -1158.433
where: short stacking energy: -498.330
Base-Backbone interact. energy: -0.888
local terms energy: -504.682335
where:
bonds (distance) C4'-P energy: -92.504
bonds (distance) P-C4' energy: -101.225
flat angles C4'-P-C4' energy: -99.991
flat angles P-C4'-P energy: -63.570
tors. eta vs tors. theta energy: -147.393
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: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1625.807509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.807509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.807509 (E_RNA)
where:
Base-Base interactions energy: -1136.400
where: short stacking energy: -498.102
Base-Backbone interact. energy: -3.738
local terms energy: -485.670247
where:
bonds (distance) C4'-P energy: -78.895
bonds (distance) P-C4' energy: -88.387
flat angles C4'-P-C4' energy: -108.078
flat angles P-C4'-P energy: -68.443
tors. eta vs tors. theta energy: -141.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1492.779912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.779912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.779912 (E_RNA)
where:
Base-Base interactions energy: -1030.428
where: short stacking energy: -432.555
Base-Backbone interact. energy: -0.360
local terms energy: -461.992257
where:
bonds (distance) C4'-P energy: -82.410
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -102.383
flat angles P-C4'-P energy: -61.436
tors. eta vs tors. theta energy: -121.057
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: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1464.523707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.523707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.523707 (E_RNA)
where:
Base-Base interactions energy: -975.369
where: short stacking energy: -437.426
Base-Backbone interact. energy: 0.407
local terms energy: -489.560985
where:
bonds (distance) C4'-P energy: -86.446
bonds (distance) P-C4' energy: -101.363
flat angles C4'-P-C4' energy: -99.151
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -141.713
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: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1173.791524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.791524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.791524 (E_RNA)
where:
Base-Base interactions energy: -777.871
where: short stacking energy: -348.844
Base-Backbone interact. energy: -1.502
local terms energy: -394.418705
where:
bonds (distance) C4'-P energy: -84.537
bonds (distance) P-C4' energy: -82.124
flat angles C4'-P-C4' energy: -91.716
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -69.333
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: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -781.976235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.976235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.976235 (E_RNA)
where:
Base-Base interactions energy: -457.315
where: short stacking energy: -255.516
Base-Backbone interact. energy: 1.743
local terms energy: -326.404667
where:
bonds (distance) C4'-P energy: -91.158
bonds (distance) P-C4' energy: -76.984
flat angles C4'-P-C4' energy: -83.869
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -432.439798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.439798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.439798 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -134.759
Base-Backbone interact. energy: 2.103
local terms energy: -289.001497
where:
bonds (distance) C4'-P energy: -98.571
bonds (distance) P-C4' energy: -96.079
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: 9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1905.647320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.647320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.647320 (E_RNA)
where:
Base-Base interactions energy: -1296.607
where: short stacking energy: -565.411
Base-Backbone interact. energy: -4.537
local terms energy: -604.503596
where:
bonds (distance) C4'-P energy: -112.096
bonds (distance) P-C4' energy: -106.620
flat angles C4'-P-C4' energy: -124.952
flat angles P-C4'-P energy: -86.170
tors. eta vs tors. theta energy: -174.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1770.293741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.293741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.293741 (E_RNA)
where:
Base-Base interactions energy: -1188.519
where: short stacking energy: -537.530
Base-Backbone interact. energy: -2.993
local terms energy: -578.781256
where:
bonds (distance) C4'-P energy: -113.039
bonds (distance) P-C4' energy: -106.920
flat angles C4'-P-C4' energy: -119.782
flat angles P-C4'-P energy: -83.344
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1757.176537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.176537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.176537 (E_RNA)
where:
Base-Base interactions energy: -1194.684
where: short stacking energy: -520.869
Base-Backbone interact. energy: -2.280
local terms energy: -560.212503
where:
bonds (distance) C4'-P energy: -96.607
bonds (distance) P-C4' energy: -96.460
flat angles C4'-P-C4' energy: -115.498
flat angles P-C4'-P energy: -84.822
tors. eta vs tors. theta energy: -166.825
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: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1632.957807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.957807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.957807 (E_RNA)
where:
Base-Base interactions energy: -1117.464
where: short stacking energy: -483.617
Base-Backbone interact. energy: -0.991
local terms energy: -514.502745
where:
bonds (distance) C4'-P energy: -93.481
bonds (distance) P-C4' energy: -99.457
flat angles C4'-P-C4' energy: -106.056
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -145.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1607.838347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.838347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.838347 (E_RNA)
where:
Base-Base interactions energy: -1099.176
where: short stacking energy: -476.191
Base-Backbone interact. energy: 1.945
local terms energy: -510.606437
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -103.376
flat angles C4'-P-C4' energy: -113.433
flat angles P-C4'-P energy: -69.101
tors. eta vs tors. theta energy: -128.474
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1517.629633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.629633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.629633 (E_RNA)
where:
Base-Base interactions energy: -1015.709
where: short stacking energy: -439.606
Base-Backbone interact. energy: -2.200
local terms energy: -499.720351
where:
bonds (distance) C4'-P energy: -93.158
bonds (distance) P-C4' energy: -105.868
flat angles C4'-P-C4' energy: -111.996
flat angles P-C4'-P energy: -62.153
tors. eta vs tors. theta energy: -126.545
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: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1415.802759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.802759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.802759 (E_RNA)
where:
Base-Base interactions energy: -920.415
where: short stacking energy: -416.791
Base-Backbone interact. energy: -1.358
local terms energy: -494.029162
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -96.089
flat angles C4'-P-C4' energy: -101.152
flat angles P-C4'-P energy: -67.395
tors. eta vs tors. theta energy: -123.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1236.488847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.488847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.488847 (E_RNA)
where:
Base-Base interactions energy: -808.553
where: short stacking energy: -382.935
Base-Backbone interact. energy: -1.232
local terms energy: -426.703405
where:
bonds (distance) C4'-P energy: -81.598
bonds (distance) P-C4' energy: -96.514
flat angles C4'-P-C4' energy: -90.439
flat angles P-C4'-P energy: -68.564
tors. eta vs tors. theta energy: -89.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -843.375807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.375807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.375807 (E_RNA)
where:
Base-Base interactions energy: -478.335
where: short stacking energy: -245.597
Base-Backbone interact. energy: 0.998
local terms energy: -366.038285
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -83.625
flat angles C4'-P-C4' energy: -84.881
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -37.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -432.170950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.170950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.170950 (E_RNA)
where:
Base-Base interactions energy: -152.010
where: short stacking energy: -118.387
Base-Backbone interact. energy: 5.234
local terms energy: -285.394433
where:
bonds (distance) C4'-P energy: -89.235
bonds (distance) P-C4' energy: -103.574
flat angles C4'-P-C4' energy: -61.342
flat angles P-C4'-P energy: -47.148
tors. eta vs tors. theta energy: 15.904
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1887.026279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.026279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.026279 (E_RNA)
where:
Base-Base interactions energy: -1289.934
where: short stacking energy: -561.023
Base-Backbone interact. energy: -1.100
local terms energy: -595.991849
where:
bonds (distance) C4'-P energy: -109.617
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -122.980
flat angles P-C4'-P energy: -78.584
tors. eta vs tors. theta energy: -174.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1798.689689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.689689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.689689 (E_RNA)
where:
Base-Base interactions energy: -1212.387
where: short stacking energy: -538.970
Base-Backbone interact. energy: -5.358
local terms energy: -580.944586
where:
bonds (distance) C4'-P energy: -106.693
bonds (distance) P-C4' energy: -119.114
flat angles C4'-P-C4' energy: -126.162
flat angles P-C4'-P energy: -79.937
tors. eta vs tors. theta energy: -149.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1747.173738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.173738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.173738 (E_RNA)
where:
Base-Base interactions energy: -1180.730
where: short stacking energy: -523.352
Base-Backbone interact. energy: -1.373
local terms energy: -565.071577
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -104.407
flat angles C4'-P-C4' energy: -107.925
flat angles P-C4'-P energy: -89.899
tors. eta vs tors. theta energy: -156.934
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: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1693.850986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.850986 (E_RNA)
where:
Base-Base interactions energy: -1156.779
where: short stacking energy: -530.125
Base-Backbone interact. energy: -2.751
local terms energy: -534.321159
where:
bonds (distance) C4'-P energy: -97.482
bonds (distance) P-C4' energy: -95.373
flat angles C4'-P-C4' energy: -120.974
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -145.827
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: 245
Temperature: 1.100000
Total energy: -1566.992653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.992653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.992653 (E_RNA)
where:
Base-Base interactions energy: -1069.197
where: short stacking energy: -464.455
Base-Backbone interact. energy: -3.656
local terms energy: -494.139461
where:
bonds (distance) C4'-P energy: -107.722
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -91.637
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -143.285
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: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1451.449966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.449966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.449966 (E_RNA)
where:
Base-Base interactions energy: -986.663
where: short stacking energy: -432.680
Base-Backbone interact. energy: -0.815
local terms energy: -463.971462
where:
bonds (distance) C4'-P energy: -89.430
bonds (distance) P-C4' energy: -93.760
flat angles C4'-P-C4' energy: -100.522
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -107.699
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: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1374.616800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.616800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.616800 (E_RNA)
where:
Base-Base interactions energy: -920.441
where: short stacking energy: -377.524
Base-Backbone interact. energy: -2.577
local terms energy: -451.599258
where:
bonds (distance) C4'-P energy: -104.776
bonds (distance) P-C4' energy: -82.745
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -65.240
tors. eta vs tors. theta energy: -94.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1205.551085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.551085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.551085 (E_RNA)
where:
Base-Base interactions energy: -821.297
where: short stacking energy: -348.511
Base-Backbone interact. energy: 1.392
local terms energy: -385.646231
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -83.871
flat angles C4'-P-C4' energy: -84.232
flat angles P-C4'-P energy: -61.594
tors. eta vs tors. theta energy: -75.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -864.325183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.325183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.325183 (E_RNA)
where:
Base-Base interactions energy: -518.288
where: short stacking energy: -245.650
Base-Backbone interact. energy: -0.475
local terms energy: -345.561871
where:
bonds (distance) C4'-P energy: -78.035
bonds (distance) P-C4' energy: -87.474
flat angles C4'-P-C4' energy: -87.012
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -39.822
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: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -442.199556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.199556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.199556 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -122.135
Base-Backbone interact. energy: -0.781
local terms energy: -295.534956
where:
bonds (distance) C4'-P energy: -92.897
bonds (distance) P-C4' energy: -91.404
flat angles C4'-P-C4' energy: -76.087
flat angles P-C4'-P energy: -48.949
tors. eta vs tors. theta energy: 13.802
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: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1898.596184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.596184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.596184 (E_RNA)
where:
Base-Base interactions energy: -1315.432
where: short stacking energy: -573.102
Base-Backbone interact. energy: 0.381
local terms energy: -583.545775
where:
bonds (distance) C4'-P energy: -103.175
bonds (distance) P-C4' energy: -105.894
flat angles C4'-P-C4' energy: -125.919
flat angles P-C4'-P energy: -85.577
tors. eta vs tors. theta energy: -162.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1761.114564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.114564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.114564 (E_RNA)
where:
Base-Base interactions energy: -1178.701
where: short stacking energy: -534.784
Base-Backbone interact. energy: -3.295
local terms energy: -579.119188
where:
bonds (distance) C4'-P energy: -115.572
bonds (distance) P-C4' energy: -115.073
flat angles C4'-P-C4' energy: -121.734
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -151.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1750.259584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.259584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.259584 (E_RNA)
where:
Base-Base interactions energy: -1185.117
where: short stacking energy: -545.100
Base-Backbone interact. energy: 1.066
local terms energy: -566.208283
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -102.042
flat angles C4'-P-C4' energy: -123.535
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -161.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1622.220648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.220648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.220648 (E_RNA)
where:
Base-Base interactions energy: -1098.489
where: short stacking energy: -461.132
Base-Backbone interact. energy: -1.481
local terms energy: -522.251550
where:
bonds (distance) C4'-P energy: -94.290
bonds (distance) P-C4' energy: -106.223
flat angles C4'-P-C4' energy: -115.256
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -126.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1577.868206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.868206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.868206 (E_RNA)
where:
Base-Base interactions energy: -1091.405
where: short stacking energy: -453.242
Base-Backbone interact. energy: -0.640
local terms energy: -485.823293
where:
bonds (distance) C4'-P energy: -97.419
bonds (distance) P-C4' energy: -90.457
flat angles C4'-P-C4' energy: -104.030
flat angles P-C4'-P energy: -62.904
tors. eta vs tors. theta energy: -131.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1467.385588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.385588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.385588 (E_RNA)
where:
Base-Base interactions energy: -1006.223
where: short stacking energy: -449.063
Base-Backbone interact. energy: -1.037
local terms energy: -460.125727
where:
bonds (distance) C4'-P energy: -88.288
bonds (distance) P-C4' energy: -98.865
flat angles C4'-P-C4' energy: -89.445
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -113.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1408.575295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.575295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.575295 (E_RNA)
where:
Base-Base interactions energy: -954.327
where: short stacking energy: -415.381
Base-Backbone interact. energy: -0.193
local terms energy: -454.055255
where:
bonds (distance) C4'-P energy: -87.585
bonds (distance) P-C4' energy: -93.845
flat angles C4'-P-C4' energy: -109.552
flat angles P-C4'-P energy: -60.751
tors. eta vs tors. theta energy: -102.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1258.281994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.281994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.281994 (E_RNA)
where:
Base-Base interactions energy: -830.769
where: short stacking energy: -344.474
Base-Backbone interact. energy: -0.251
local terms energy: -427.262451
where:
bonds (distance) C4'-P energy: -90.783
bonds (distance) P-C4' energy: -89.824
flat angles C4'-P-C4' energy: -102.734
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -72.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -854.609156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.609156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.609156 (E_RNA)
where:
Base-Base interactions energy: -501.860
where: short stacking energy: -237.720
Base-Backbone interact. energy: -1.689
local terms energy: -351.060305
where:
bonds (distance) C4'-P energy: -98.652
bonds (distance) P-C4' energy: -87.274
flat angles C4'-P-C4' energy: -92.131
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -36.700
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: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -433.248054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.248054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.248054 (E_RNA)
where:
Base-Base interactions energy: -173.146
where: short stacking energy: -112.501
Base-Backbone interact. energy: 4.030
local terms energy: -264.132021
where:
bonds (distance) C4'-P energy: -105.294
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -74.560
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: 11.576
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: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1887.103553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.103553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.103553 (E_RNA)
where:
Base-Base interactions energy: -1318.554
where: short stacking energy: -588.618
Base-Backbone interact. energy: 3.993
local terms energy: -572.542018
where:
bonds (distance) C4'-P energy: -98.448
bonds (distance) P-C4' energy: -101.903
flat angles C4'-P-C4' energy: -125.316
flat angles P-C4'-P energy: -72.991
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: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1812.052032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.052032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.052032 (E_RNA)
where:
Base-Base interactions energy: -1242.373
where: short stacking energy: -555.758
Base-Backbone interact. energy: -2.847
local terms energy: -566.831978
where:
bonds (distance) C4'-P energy: -97.285
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -123.455
flat angles P-C4'-P energy: -99.053
tors. eta vs tors. theta energy: -154.487
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: 247
Temperature: 1.000000
Total energy: -1769.807081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.807081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.807081 (E_RNA)
where:
Base-Base interactions energy: -1229.686
where: short stacking energy: -543.141
Base-Backbone interact. energy: 2.135
local terms energy: -542.255855
where:
bonds (distance) C4'-P energy: -87.734
bonds (distance) P-C4' energy: -93.931
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -75.003
tors. eta vs tors. theta energy: -162.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1639.919313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.919313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.919313 (E_RNA)
where:
Base-Base interactions energy: -1101.690
where: short stacking energy: -503.377
Base-Backbone interact. energy: -1.888
local terms energy: -536.341369
where:
bonds (distance) C4'-P energy: -95.466
bonds (distance) P-C4' energy: -107.500
flat angles C4'-P-C4' energy: -118.869
flat angles P-C4'-P energy: -68.279
tors. eta vs tors. theta energy: -146.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1551.854579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.854579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.854579 (E_RNA)
where:
Base-Base interactions energy: -1048.952
where: short stacking energy: -443.219
Base-Backbone interact. energy: -0.120
local terms energy: -502.783173
where:
bonds (distance) C4'-P energy: -112.298
bonds (distance) P-C4' energy: -95.884
flat angles C4'-P-C4' energy: -110.298
flat angles P-C4'-P energy: -72.461
tors. eta vs tors. theta energy: -111.842
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1501.775419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.775419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.775419 (E_RNA)
where:
Base-Base interactions energy: -1015.829
where: short stacking energy: -436.344
Base-Backbone interact. energy: 0.446
local terms energy: -486.392508
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -106.295
flat angles P-C4'-P energy: -69.327
tors. eta vs tors. theta energy: -113.861
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: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1384.183949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.183949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.183949 (E_RNA)
where:
Base-Base interactions energy: -932.930
where: short stacking energy: -410.552
Base-Backbone interact. energy: -1.234
local terms energy: -450.020487
where:
bonds (distance) C4'-P energy: -81.419
bonds (distance) P-C4' energy: -100.020
flat angles C4'-P-C4' energy: -102.055
flat angles P-C4'-P energy: -55.589
tors. eta vs tors. theta energy: -110.937
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: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1159.271638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.271638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.271638 (E_RNA)
where:
Base-Base interactions energy: -760.091
where: short stacking energy: -330.294
Base-Backbone interact. energy: -1.774
local terms energy: -397.406552
where:
bonds (distance) C4'-P energy: -76.770
bonds (distance) P-C4' energy: -89.405
flat angles C4'-P-C4' energy: -96.535
flat angles P-C4'-P energy: -65.275
tors. eta vs tors. theta energy: -69.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -882.271783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.271783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.271783 (E_RNA)
where:
Base-Base interactions energy: -525.272
where: short stacking energy: -278.694
Base-Backbone interact. energy: 0.833
local terms energy: -357.832717
where:
bonds (distance) C4'-P energy: -88.771
bonds (distance) P-C4' energy: -84.704
flat angles C4'-P-C4' energy: -86.488
flat angles P-C4'-P energy: -60.147
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -495.325730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.325730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.325730 (E_RNA)
where:
Base-Base interactions energy: -232.430
where: short stacking energy: -161.067
Base-Backbone interact. energy: -1.733
local terms energy: -261.162381
where:
bonds (distance) C4'-P energy: -94.310
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -77.949
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: 7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1895.724262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.724262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.724262 (E_RNA)
where:
Base-Base interactions energy: -1319.542
where: short stacking energy: -558.924
Base-Backbone interact. energy: -0.749
local terms energy: -575.433691
where:
bonds (distance) C4'-P energy: -111.200
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -120.510
flat angles P-C4'-P energy: -76.925
tors. eta vs tors. theta energy: -166.737
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: 248
Temperature: 0.950000
Total energy: -1792.667849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.667849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.667849 (E_RNA)
where:
Base-Base interactions energy: -1242.363
where: short stacking energy: -538.652
Base-Backbone interact. energy: -2.735
local terms energy: -547.569677
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -86.764
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -81.293
tors. eta vs tors. theta energy: -151.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1727.464740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.464740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.464740 (E_RNA)
where:
Base-Base interactions energy: -1159.519
where: short stacking energy: -517.228
Base-Backbone interact. energy: -2.466
local terms energy: -565.479523
where:
bonds (distance) C4'-P energy: -93.595
bonds (distance) P-C4' energy: -105.524
flat angles C4'-P-C4' energy: -125.688
flat angles P-C4'-P energy: -84.809
tors. eta vs tors. theta energy: -155.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1654.249783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.249783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.249783 (E_RNA)
where:
Base-Base interactions energy: -1137.870
where: short stacking energy: -502.430
Base-Backbone interact. energy: -0.394
local terms energy: -515.985395
where:
bonds (distance) C4'-P energy: -91.393
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -112.781
flat angles P-C4'-P energy: -69.062
tors. eta vs tors. theta energy: -140.980
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: 248
Temperature: 1.100000
Total energy: -1568.881848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.881848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.881848 (E_RNA)
where:
Base-Base interactions energy: -1084.558
where: short stacking energy: -486.090
Base-Backbone interact. energy: -1.756
local terms energy: -482.567591
where:
bonds (distance) C4'-P energy: -96.165
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -100.754
flat angles P-C4'-P energy: -63.022
tors. eta vs tors. theta energy: -125.974
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1511.372356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.372356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.372356 (E_RNA)
where:
Base-Base interactions energy: -1014.570
where: short stacking energy: -438.860
Base-Backbone interact. energy: -1.669
local terms energy: -495.133286
where:
bonds (distance) C4'-P energy: -101.526
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -114.044
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: -128.678
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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1423.864786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.864786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.864786 (E_RNA)
where:
Base-Base interactions energy: -949.466
where: short stacking energy: -418.268
Base-Backbone interact. energy: -1.463
local terms energy: -472.936427
where:
bonds (distance) C4'-P energy: -81.977
bonds (distance) P-C4' energy: -103.793
flat angles C4'-P-C4' energy: -107.960
flat angles P-C4'-P energy: -60.524
tors. eta vs tors. theta energy: -118.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1143.042263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.042263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.042263 (E_RNA)
where:
Base-Base interactions energy: -748.178
where: short stacking energy: -316.528
Base-Backbone interact. energy: -0.759
local terms energy: -394.104819
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -101.210
flat angles P-C4'-P energy: -56.992
tors. eta vs tors. theta energy: -66.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -831.261168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.261168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.261168 (E_RNA)
where:
Base-Base interactions energy: -502.353
where: short stacking energy: -237.392
Base-Backbone interact. energy: -0.128
local terms energy: -328.780111
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -84.936
flat angles C4'-P-C4' energy: -84.236
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -480.160032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.160032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.160032 (E_RNA)
where:
Base-Base interactions energy: -228.728
where: short stacking energy: -136.677
Base-Backbone interact. energy: -0.042
local terms energy: -251.389687
where:
bonds (distance) C4'-P energy: -82.155
bonds (distance) P-C4' energy: -74.789
flat angles C4'-P-C4' energy: -74.741
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: 10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1903.551653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.551653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.551653 (E_RNA)
where:
Base-Base interactions energy: -1278.731
where: short stacking energy: -562.759
Base-Backbone interact. energy: -2.217
local terms energy: -622.604271
where:
bonds (distance) C4'-P energy: -108.855
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -125.254
flat angles P-C4'-P energy: -98.460
tors. eta vs tors. theta energy: -175.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1796.748377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.748377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.748377 (E_RNA)
where:
Base-Base interactions energy: -1225.956
where: short stacking energy: -536.381
Base-Backbone interact. energy: -2.539
local terms energy: -568.253227
where:
bonds (distance) C4'-P energy: -97.262
bonds (distance) P-C4' energy: -98.673
flat angles C4'-P-C4' energy: -128.404
flat angles P-C4'-P energy: -91.322
tors. eta vs tors. theta energy: -152.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1717.818266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.818266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.818266 (E_RNA)
where:
Base-Base interactions energy: -1178.860
where: short stacking energy: -510.531
Base-Backbone interact. energy: -0.440
local terms energy: -538.519147
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -108.285
flat angles C4'-P-C4' energy: -107.633
flat angles P-C4'-P energy: -72.416
tors. eta vs tors. theta energy: -152.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1619.377604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.377604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.377604 (E_RNA)
where:
Base-Base interactions energy: -1075.262
where: short stacking energy: -490.813
Base-Backbone interact. energy: -0.940
local terms energy: -543.175334
where:
bonds (distance) C4'-P energy: -91.414
bonds (distance) P-C4' energy: -114.023
flat angles C4'-P-C4' energy: -117.819
flat angles P-C4'-P energy: -84.289
tors. eta vs tors. theta energy: -135.630
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1578.729599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.729599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.729599 (E_RNA)
where:
Base-Base interactions energy: -1090.724
where: short stacking energy: -480.221
Base-Backbone interact. energy: 2.270
local terms energy: -490.275246
where:
bonds (distance) C4'-P energy: -93.163
bonds (distance) P-C4' energy: -103.437
flat angles C4'-P-C4' energy: -100.765
flat angles P-C4'-P energy: -68.849
tors. eta vs tors. theta energy: -124.062
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: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1565.310084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.310084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.310084 (E_RNA)
where:
Base-Base interactions energy: -1042.383
where: short stacking energy: -464.438
Base-Backbone interact. energy: -0.052
local terms energy: -522.874936
where:
bonds (distance) C4'-P energy: -89.472
bonds (distance) P-C4' energy: -104.862
flat angles C4'-P-C4' energy: -115.795
flat angles P-C4'-P energy: -69.582
tors. eta vs tors. theta energy: -143.164
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: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1436.479517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.479517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.479517 (E_RNA)
where:
Base-Base interactions energy: -950.904
where: short stacking energy: -409.120
Base-Backbone interact. energy: -0.267
local terms energy: -485.308333
where:
bonds (distance) C4'-P energy: -93.583
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -112.781
flat angles P-C4'-P energy: -79.644
tors. eta vs tors. theta energy: -110.750
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: 249
Temperature: 1.250000
Total energy: -1152.560922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.560922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.560922 (E_RNA)
where:
Base-Base interactions energy: -762.225
where: short stacking energy: -326.789
Base-Backbone interact. energy: -2.894
local terms energy: -387.441939
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -90.406
flat angles C4'-P-C4' energy: -81.257
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -72.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -884.063394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.063394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.063394 (E_RNA)
where:
Base-Base interactions energy: -553.913
where: short stacking energy: -246.063
Base-Backbone interact. energy: -2.376
local terms energy: -327.773816
where:
bonds (distance) C4'-P energy: -75.289
bonds (distance) P-C4' energy: -89.770
flat angles C4'-P-C4' energy: -86.674
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -509.112180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.112180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.112180 (E_RNA)
where:
Base-Base interactions energy: -228.495
where: short stacking energy: -150.764
Base-Backbone interact. energy: 6.128
local terms energy: -286.745860
where:
bonds (distance) C4'-P energy: -89.370
bonds (distance) P-C4' energy: -91.115
flat angles C4'-P-C4' energy: -79.444
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: 3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1914.772630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.772630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.772630 (E_RNA)
where:
Base-Base interactions energy: -1320.307
where: short stacking energy: -565.132
Base-Backbone interact. energy: -0.380
local terms energy: -594.085627
where:
bonds (distance) C4'-P energy: -111.330
bonds (distance) P-C4' energy: -110.558
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -82.256
tors. eta vs tors. theta energy: -167.379
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: 250
Temperature: 0.950000
Total energy: -1826.487573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.487573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.487573 (E_RNA)
where:
Base-Base interactions energy: -1243.340
where: short stacking energy: -576.369
Base-Backbone interact. energy: -1.704
local terms energy: -581.443442
where:
bonds (distance) C4'-P energy: -104.568
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -127.968
flat angles P-C4'-P energy: -85.261
tors. eta vs tors. theta energy: -165.412
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: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1736.698089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.698089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.698089 (E_RNA)
where:
Base-Base interactions energy: -1180.832
where: short stacking energy: -501.824
Base-Backbone interact. energy: -1.378
local terms energy: -554.489023
where:
bonds (distance) C4'-P energy: -92.408
bonds (distance) P-C4' energy: -109.072
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -86.044
tors. eta vs tors. theta energy: -156.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1632.765153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.765153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.765153 (E_RNA)
where:
Base-Base interactions energy: -1111.929
where: short stacking energy: -479.462
Base-Backbone interact. energy: -3.522
local terms energy: -517.314375
where:
bonds (distance) C4'-P energy: -101.997
bonds (distance) P-C4' energy: -106.748
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -134.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1585.822894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.822894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.822894 (E_RNA)
where:
Base-Base interactions energy: -1071.665
where: short stacking energy: -457.180
Base-Backbone interact. energy: -3.093
local terms energy: -511.065451
where:
bonds (distance) C4'-P energy: -95.301
bonds (distance) P-C4' energy: -96.349
flat angles C4'-P-C4' energy: -109.774
flat angles P-C4'-P energy: -75.561
tors. eta vs tors. theta energy: -134.081
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: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1490.509815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.509815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.509815 (E_RNA)
where:
Base-Base interactions energy: -1020.655
where: short stacking energy: -454.191
Base-Backbone interact. energy: -1.380
local terms energy: -468.475048
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -88.269
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -127.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1404.884684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.884684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.884684 (E_RNA)
where:
Base-Base interactions energy: -944.094
where: short stacking energy: -406.822
Base-Backbone interact. energy: -0.888
local terms energy: -459.902674
where:
bonds (distance) C4'-P energy: -74.440
bonds (distance) P-C4' energy: -112.137
flat angles C4'-P-C4' energy: -95.540
flat angles P-C4'-P energy: -64.428
tors. eta vs tors. theta energy: -113.358
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: 250
Temperature: 1.250000
Total energy: -1173.904684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.904684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.904684 (E_RNA)
where:
Base-Base interactions energy: -764.391
where: short stacking energy: -344.502
Base-Backbone interact. energy: 0.441
local terms energy: -409.954407
where:
bonds (distance) C4'-P energy: -99.903
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -102.815
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -62.170
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -890.993694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.993694 (E_RNA)
where:
Base-Base interactions energy: -524.441
where: short stacking energy: -238.654
Base-Backbone interact. energy: -1.875
local terms energy: -364.677718
where:
bonds (distance) C4'-P energy: -84.257
bonds (distance) P-C4' energy: -108.795
flat angles C4'-P-C4' energy: -94.419
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -23.490
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -532.320204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.320204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.320204 (E_RNA)
where:
Base-Base interactions energy: -230.389
where: short stacking energy: -145.000
Base-Backbone interact. energy: 3.300
local terms energy: -305.230705
where:
bonds (distance) C4'-P energy: -97.064
bonds (distance) P-C4' energy: -99.093
flat angles C4'-P-C4' energy: -68.438
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -6.239
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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1894.889079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.889079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.889079 (E_RNA)
where:
Base-Base interactions energy: -1296.238
where: short stacking energy: -556.189
Base-Backbone interact. energy: -0.422
local terms energy: -598.229156
where:
bonds (distance) C4'-P energy: -109.670
bonds (distance) P-C4' energy: -106.477
flat angles C4'-P-C4' energy: -122.125
flat angles P-C4'-P energy: -89.706
tors. eta vs tors. theta energy: -170.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1818.409597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.409597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.409597 (E_RNA)
where:
Base-Base interactions energy: -1260.171
where: short stacking energy: -561.165
Base-Backbone interact. energy: -0.567
local terms energy: -557.671783
where:
bonds (distance) C4'-P energy: -99.397
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -111.469
flat angles P-C4'-P energy: -87.286
tors. eta vs tors. theta energy: -164.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1762.151151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.151151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.151151 (E_RNA)
where:
Base-Base interactions energy: -1184.090
where: short stacking energy: -530.840
Base-Backbone interact. energy: -0.429
local terms energy: -577.631601
where:
bonds (distance) C4'-P energy: -112.229
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -112.707
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -174.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1612.056772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.056772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.056772 (E_RNA)
where:
Base-Base interactions energy: -1100.300
where: short stacking energy: -483.893
Base-Backbone interact. energy: -0.888
local terms energy: -510.869162
where:
bonds (distance) C4'-P energy: -94.315
bonds (distance) P-C4' energy: -90.844
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -78.631
tors. eta vs tors. theta energy: -133.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1576.702419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.702419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.702419 (E_RNA)
where:
Base-Base interactions energy: -1074.735
where: short stacking energy: -469.975
Base-Backbone interact. energy: 1.828
local terms energy: -503.795575
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -118.230
flat angles P-C4'-P energy: -69.754
tors. eta vs tors. theta energy: -132.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1501.778918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.778918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.778918 (E_RNA)
where:
Base-Base interactions energy: -1043.691
where: short stacking energy: -456.460
Base-Backbone interact. energy: -1.341
local terms energy: -456.746553
where:
bonds (distance) C4'-P energy: -87.489
bonds (distance) P-C4' energy: -98.518
flat angles C4'-P-C4' energy: -91.075
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: -129.695
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: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1325.267991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.267991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.267991 (E_RNA)
where:
Base-Base interactions energy: -887.340
where: short stacking energy: -360.200
Base-Backbone interact. energy: -0.910
local terms energy: -437.017767
where:
bonds (distance) C4'-P energy: -81.113
bonds (distance) P-C4' energy: -88.610
flat angles C4'-P-C4' energy: -107.700
flat angles P-C4'-P energy: -69.797
tors. eta vs tors. theta energy: -89.798
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: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1151.854731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.854731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.854731 (E_RNA)
where:
Base-Base interactions energy: -750.953
where: short stacking energy: -333.606
Base-Backbone interact. energy: -1.676
local terms energy: -399.225740
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -103.964
flat angles C4'-P-C4' energy: -83.769
flat angles P-C4'-P energy: -57.159
tors. eta vs tors. theta energy: -68.517
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: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -877.934053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.934053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.934053 (E_RNA)
where:
Base-Base interactions energy: -515.467
where: short stacking energy: -242.948
Base-Backbone interact. energy: -0.439
local terms energy: -362.027690
where:
bonds (distance) C4'-P energy: -84.805
bonds (distance) P-C4' energy: -109.189
flat angles C4'-P-C4' energy: -77.882
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: -45.862
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -506.470177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.470177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.470177 (E_RNA)
where:
Base-Base interactions energy: -223.344
where: short stacking energy: -132.753
Base-Backbone interact. energy: 1.712
local terms energy: -284.838862
where:
bonds (distance) C4'-P energy: -90.644
bonds (distance) P-C4' energy: -102.659
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: 9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1916.665437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.665437 (E_RNA)
where:
Base-Base interactions energy: -1335.299
where: short stacking energy: -587.801
Base-Backbone interact. energy: -3.747
local terms energy: -577.619682
where:
bonds (distance) C4'-P energy: -98.749
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -121.055
flat angles P-C4'-P energy: -85.475
tors. eta vs tors. theta energy: -166.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1814.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.901743 (E_RNA)
where:
Base-Base interactions energy: -1227.228
where: short stacking energy: -533.294
Base-Backbone interact. energy: -2.163
local terms energy: -585.510356
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -101.761
flat angles C4'-P-C4' energy: -133.623
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -163.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1760.749073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.749073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.749073 (E_RNA)
where:
Base-Base interactions energy: -1190.084
where: short stacking energy: -523.841
Base-Backbone interact. energy: -1.593
local terms energy: -569.072203
where:
bonds (distance) C4'-P energy: -87.889
bonds (distance) P-C4' energy: -116.944
flat angles C4'-P-C4' energy: -116.458
flat angles P-C4'-P energy: -79.257
tors. eta vs tors. theta energy: -168.524
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: 252
Temperature: 1.050000
Total energy: -1638.076269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.076269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.076269 (E_RNA)
where:
Base-Base interactions energy: -1105.852
where: short stacking energy: -485.423
Base-Backbone interact. energy: -0.010
local terms energy: -532.214264
where:
bonds (distance) C4'-P energy: -102.789
bonds (distance) P-C4' energy: -103.864
flat angles C4'-P-C4' energy: -110.894
flat angles P-C4'-P energy: -79.965
tors. eta vs tors. theta energy: -134.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1591.776257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.776257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.776257 (E_RNA)
where:
Base-Base interactions energy: -1086.553
where: short stacking energy: -481.764
Base-Backbone interact. energy: -0.194
local terms energy: -505.029935
where:
bonds (distance) C4'-P energy: -96.830
bonds (distance) P-C4' energy: -83.157
flat angles C4'-P-C4' energy: -118.625
flat angles P-C4'-P energy: -66.970
tors. eta vs tors. theta energy: -139.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1519.493082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.493082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.493082 (E_RNA)
where:
Base-Base interactions energy: -1042.028
where: short stacking energy: -477.883
Base-Backbone interact. energy: -0.739
local terms energy: -476.726303
where:
bonds (distance) C4'-P energy: -78.283
bonds (distance) P-C4' energy: -84.379
flat angles C4'-P-C4' energy: -105.164
flat angles P-C4'-P energy: -73.829
tors. eta vs tors. theta energy: -135.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1403.228679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.228679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.228679 (E_RNA)
where:
Base-Base interactions energy: -940.181
where: short stacking energy: -401.307
Base-Backbone interact. energy: -1.944
local terms energy: -461.103764
where:
bonds (distance) C4'-P energy: -98.303
bonds (distance) P-C4' energy: -93.881
flat angles C4'-P-C4' energy: -106.859
flat angles P-C4'-P energy: -57.852
tors. eta vs tors. theta energy: -104.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1145.949199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.949199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.949199 (E_RNA)
where:
Base-Base interactions energy: -768.874
where: short stacking energy: -344.011
Base-Backbone interact. energy: 3.315
local terms energy: -380.389612
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -100.010
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -70.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -847.063358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.063358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.063358 (E_RNA)
where:
Base-Base interactions energy: -514.639
where: short stacking energy: -238.642
Base-Backbone interact. energy: -3.108
local terms energy: -329.316160
where:
bonds (distance) C4'-P energy: -87.077
bonds (distance) P-C4' energy: -95.151
flat angles C4'-P-C4' energy: -82.658
flat angles P-C4'-P energy: -43.031
tors. eta vs tors. theta energy: -21.399
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -521.634748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.634748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.634748 (E_RNA)
where:
Base-Base interactions energy: -240.787
where: short stacking energy: -147.446
Base-Backbone interact. energy: 8.669
local terms energy: -289.516655
where:
bonds (distance) C4'-P energy: -82.587
bonds (distance) P-C4' energy: -93.833
flat angles C4'-P-C4' energy: -81.912
flat angles P-C4'-P energy: -49.882
tors. eta vs tors. theta energy: 18.698
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: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1898.175507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.175507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.175507 (E_RNA)
where:
Base-Base interactions energy: -1301.276
where: short stacking energy: -569.375
Base-Backbone interact. energy: -1.035
local terms energy: -595.864474
where:
bonds (distance) C4'-P energy: -108.464
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -119.625
flat angles P-C4'-P energy: -83.601
tors. eta vs tors. theta energy: -170.590
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: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1818.549658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.549658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.549658 (E_RNA)
where:
Base-Base interactions energy: -1238.460
where: short stacking energy: -533.138
Base-Backbone interact. energy: -3.219
local terms energy: -576.871268
where:
bonds (distance) C4'-P energy: -99.722
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -117.648
flat angles P-C4'-P energy: -83.144
tors. eta vs tors. theta energy: -172.571
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: 253
Temperature: 1.000000
Total energy: -1753.406853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.406853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.406853 (E_RNA)
where:
Base-Base interactions energy: -1199.362
where: short stacking energy: -524.008
Base-Backbone interact. energy: -1.309
local terms energy: -552.736061
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -94.888
flat angles C4'-P-C4' energy: -117.489
flat angles P-C4'-P energy: -82.966
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: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1649.402811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.402811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.402811 (E_RNA)
where:
Base-Base interactions energy: -1122.304
where: short stacking energy: -486.507
Base-Backbone interact. energy: -3.602
local terms energy: -523.496807
where:
bonds (distance) C4'-P energy: -97.222
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -76.936
tors. eta vs tors. theta energy: -132.609
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: 253
Temperature: 1.100000
Total energy: -1594.987394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.987394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.987394 (E_RNA)
where:
Base-Base interactions energy: -1094.125
where: short stacking energy: -473.333
Base-Backbone interact. energy: -0.071
local terms energy: -500.791909
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -96.212
flat angles C4'-P-C4' energy: -110.335
flat angles P-C4'-P energy: -67.747
tors. eta vs tors. theta energy: -140.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1417.523781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.523781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.523781 (E_RNA)
where:
Base-Base interactions energy: -959.859
where: short stacking energy: -409.886
Base-Backbone interact. energy: 1.171
local terms energy: -458.835566
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -108.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1409.488285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.488285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.488285 (E_RNA)
where:
Base-Base interactions energy: -946.920
where: short stacking energy: -434.352
Base-Backbone interact. energy: 0.132
local terms energy: -462.699557
where:
bonds (distance) C4'-P energy: -92.766
bonds (distance) P-C4' energy: -86.275
flat angles C4'-P-C4' energy: -92.120
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -120.228
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: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1171.533067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.533067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.533067 (E_RNA)
where:
Base-Base interactions energy: -763.237
where: short stacking energy: -345.611
Base-Backbone interact. energy: -1.523
local terms energy: -406.772998
where:
bonds (distance) C4'-P energy: -77.121
bonds (distance) P-C4' energy: -102.257
flat angles C4'-P-C4' energy: -90.937
flat angles P-C4'-P energy: -56.587
tors. eta vs tors. theta energy: -79.871
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: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -903.099461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.099461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.099461 (E_RNA)
where:
Base-Base interactions energy: -563.107
where: short stacking energy: -242.179
Base-Backbone interact. energy: 1.148
local terms energy: -341.141020
where:
bonds (distance) C4'-P energy: -78.397
bonds (distance) P-C4' energy: -93.494
flat angles C4'-P-C4' energy: -73.231
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -40.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -550.465147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.465147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.465147 (E_RNA)
where:
Base-Base interactions energy: -259.480
where: short stacking energy: -158.105
Base-Backbone interact. energy: -0.092
local terms energy: -290.892828
where:
bonds (distance) C4'-P energy: -67.306
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -65.786
flat angles P-C4'-P energy: -52.317
tors. eta vs tors. theta energy: -12.160
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: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1889.470674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.470674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.470674 (E_RNA)
where:
Base-Base interactions energy: -1305.026
where: short stacking energy: -570.308
Base-Backbone interact. energy: -2.310
local terms energy: -582.135004
where:
bonds (distance) C4'-P energy: -101.702
bonds (distance) P-C4' energy: -99.799
flat angles C4'-P-C4' energy: -115.991
flat angles P-C4'-P energy: -94.234
tors. eta vs tors. theta energy: -170.409
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: 254
Temperature: 0.950000
Total energy: -1805.078666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.078666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.078666 (E_RNA)
where:
Base-Base interactions energy: -1222.126
where: short stacking energy: -549.268
Base-Backbone interact. energy: -2.749
local terms energy: -580.204015
where:
bonds (distance) C4'-P energy: -94.995
bonds (distance) P-C4' energy: -112.178
flat angles C4'-P-C4' energy: -115.169
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -173.127
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: 254
Temperature: 1.000000
Total energy: -1751.081864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.081864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.081864 (E_RNA)
where:
Base-Base interactions energy: -1178.099
where: short stacking energy: -537.454
Base-Backbone interact. energy: -2.045
local terms energy: -570.937964
where:
bonds (distance) C4'-P energy: -101.286
bonds (distance) P-C4' energy: -110.544
flat angles C4'-P-C4' energy: -122.022
flat angles P-C4'-P energy: -81.450
tors. eta vs tors. theta energy: -155.635
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: 254
Temperature: 1.050000
Total energy: -1694.358557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.358557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.358557 (E_RNA)
where:
Base-Base interactions energy: -1134.531
where: short stacking energy: -484.830
Base-Backbone interact. energy: 0.222
local terms energy: -560.049464
where:
bonds (distance) C4'-P energy: -102.630
bonds (distance) P-C4' energy: -107.026
flat angles C4'-P-C4' energy: -114.834
flat angles P-C4'-P energy: -80.020
tors. eta vs tors. theta energy: -155.539
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1551.103290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.103290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.103290 (E_RNA)
where:
Base-Base interactions energy: -1053.820
where: short stacking energy: -467.405
Base-Backbone interact. energy: -1.563
local terms energy: -495.719652
where:
bonds (distance) C4'-P energy: -89.575
bonds (distance) P-C4' energy: -96.584
flat angles C4'-P-C4' energy: -105.922
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -138.901
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: 254
Temperature: 1.150000
Total energy: -1416.899105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.899105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.899105 (E_RNA)
where:
Base-Base interactions energy: -932.670
where: short stacking energy: -411.477
Base-Backbone interact. energy: -1.631
local terms energy: -482.598748
where:
bonds (distance) C4'-P energy: -92.439
bonds (distance) P-C4' energy: -98.821
flat angles C4'-P-C4' energy: -98.628
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -114.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1396.090440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.090440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.090440 (E_RNA)
where:
Base-Base interactions energy: -945.601
where: short stacking energy: -412.619
Base-Backbone interact. energy: 3.757
local terms energy: -454.246134
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -81.555
flat angles C4'-P-C4' energy: -106.434
flat angles P-C4'-P energy: -72.183
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1132.146611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.146611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.146611 (E_RNA)
where:
Base-Base interactions energy: -711.914
where: short stacking energy: -303.435
Base-Backbone interact. energy: -3.540
local terms energy: -416.692065
where:
bonds (distance) C4'-P energy: -92.206
bonds (distance) P-C4' energy: -109.153
flat angles C4'-P-C4' energy: -97.829
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -54.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -914.593293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.593293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.593293 (E_RNA)
where:
Base-Base interactions energy: -590.596
where: short stacking energy: -280.281
Base-Backbone interact. energy: -2.375
local terms energy: -321.622439
where:
bonds (distance) C4'-P energy: -88.516
bonds (distance) P-C4' energy: -81.471
flat angles C4'-P-C4' energy: -72.580
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -491.025174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.025174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.025174 (E_RNA)
where:
Base-Base interactions energy: -189.615
where: short stacking energy: -139.081
Base-Backbone interact. energy: 0.350
local terms energy: -301.759586
where:
bonds (distance) C4'-P energy: -80.694
bonds (distance) P-C4' energy: -103.015
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: 16.952
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: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1896.403155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.403155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.403155 (E_RNA)
where:
Base-Base interactions energy: -1294.268
where: short stacking energy: -588.210
Base-Backbone interact. energy: -3.548
local terms energy: -598.586833
where:
bonds (distance) C4'-P energy: -113.475
bonds (distance) P-C4' energy: -106.938
flat angles C4'-P-C4' energy: -124.500
flat angles P-C4'-P energy: -80.904
tors. eta vs tors. theta energy: -172.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1797.843101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.843101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.843101 (E_RNA)
where:
Base-Base interactions energy: -1215.009
where: short stacking energy: -562.632
Base-Backbone interact. energy: -3.210
local terms energy: -579.624757
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -107.870
flat angles C4'-P-C4' energy: -122.430
flat angles P-C4'-P energy: -78.203
tors. eta vs tors. theta energy: -165.746
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: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1722.829801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.829801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.829801 (E_RNA)
where:
Base-Base interactions energy: -1177.885
where: short stacking energy: -510.901
Base-Backbone interact. energy: 0.417
local terms energy: -545.362069
where:
bonds (distance) C4'-P energy: -99.923
bonds (distance) P-C4' energy: -104.482
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -147.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1708.572962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.572962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.572962 (E_RNA)
where:
Base-Base interactions energy: -1152.735
where: short stacking energy: -514.595
Base-Backbone interact. energy: 0.034
local terms energy: -555.872243
where:
bonds (distance) C4'-P energy: -98.841
bonds (distance) P-C4' energy: -115.126
flat angles C4'-P-C4' energy: -112.012
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -153.136
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: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1570.425103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.425103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.425103 (E_RNA)
where:
Base-Base interactions energy: -1049.512
where: short stacking energy: -443.528
Base-Backbone interact. energy: -2.058
local terms energy: -518.855283
where:
bonds (distance) C4'-P energy: -104.538
bonds (distance) P-C4' energy: -104.556
flat angles C4'-P-C4' energy: -104.149
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -126.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1493.845729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.845729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.845729 (E_RNA)
where:
Base-Base interactions energy: -1013.103
where: short stacking energy: -446.006
Base-Backbone interact. energy: 2.150
local terms energy: -482.893436
where:
bonds (distance) C4'-P energy: -91.426
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -97.008
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -120.703
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1340.692676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.692676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.692676 (E_RNA)
where:
Base-Base interactions energy: -879.885
where: short stacking energy: -349.906
Base-Backbone interact. energy: -1.409
local terms energy: -459.398611
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -94.590
flat angles P-C4'-P energy: -60.963
tors. eta vs tors. theta energy: -94.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1160.766720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.766720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.766720 (E_RNA)
where:
Base-Base interactions energy: -774.186
where: short stacking energy: -339.603
Base-Backbone interact. energy: -0.732
local terms energy: -385.847789
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -102.662
flat angles C4'-P-C4' energy: -87.988
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -65.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -839.282257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.282257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.282257 (E_RNA)
where:
Base-Base interactions energy: -477.361
where: short stacking energy: -239.611
Base-Backbone interact. energy: -2.072
local terms energy: -359.849448
where:
bonds (distance) C4'-P energy: -99.276
bonds (distance) P-C4' energy: -92.088
flat angles C4'-P-C4' energy: -84.073
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -28.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -497.488952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.488952 (E_RNA)
where:
Base-Base interactions energy: -214.826
where: short stacking energy: -133.716
Base-Backbone interact. energy: -1.890
local terms energy: -280.772345
where:
bonds (distance) C4'-P energy: -81.180
bonds (distance) P-C4' energy: -96.624
flat angles C4'-P-C4' energy: -58.740
flat angles P-C4'-P energy: -56.342
tors. eta vs tors. theta energy: 12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1879.218454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.218454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.218454 (E_RNA)
where:
Base-Base interactions energy: -1266.506
where: short stacking energy: -563.158
Base-Backbone interact. energy: 1.415
local terms energy: -614.127512
where:
bonds (distance) C4'-P energy: -106.632
bonds (distance) P-C4' energy: -112.942
flat angles C4'-P-C4' energy: -130.179
flat angles P-C4'-P energy: -94.879
tors. eta vs tors. theta energy: -169.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1813.253907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.253907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.253907 (E_RNA)
where:
Base-Base interactions energy: -1224.703
where: short stacking energy: -534.673
Base-Backbone interact. energy: -2.793
local terms energy: -585.757860
where:
bonds (distance) C4'-P energy: -111.077
bonds (distance) P-C4' energy: -112.699
flat angles C4'-P-C4' energy: -119.862
flat angles P-C4'-P energy: -77.107
tors. eta vs tors. theta energy: -165.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1723.913637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.913637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.913637 (E_RNA)
where:
Base-Base interactions energy: -1192.112
where: short stacking energy: -535.455
Base-Backbone interact. energy: -1.586
local terms energy: -530.215791
where:
bonds (distance) C4'-P energy: -98.930
bonds (distance) P-C4' energy: -92.566
flat angles C4'-P-C4' energy: -105.338
flat angles P-C4'-P energy: -85.881
tors. eta vs tors. theta energy: -147.501
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: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1700.026791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.026791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.026791 (E_RNA)
where:
Base-Base interactions energy: -1143.633
where: short stacking energy: -518.050
Base-Backbone interact. energy: -2.456
local terms energy: -553.938389
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -95.560
flat angles C4'-P-C4' energy: -120.402
flat angles P-C4'-P energy: -81.197
tors. eta vs tors. theta energy: -149.184
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: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1562.292203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.292203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.292203 (E_RNA)
where:
Base-Base interactions energy: -1073.837
where: short stacking energy: -462.112
Base-Backbone interact. energy: -1.991
local terms energy: -486.464237
where:
bonds (distance) C4'-P energy: -68.367
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -120.135
flat angles P-C4'-P energy: -75.390
tors. eta vs tors. theta energy: -129.831
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: 256
Temperature: 1.150000
Total energy: -1475.365863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.365863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.365863 (E_RNA)
where:
Base-Base interactions energy: -988.180
where: short stacking energy: -439.297
Base-Backbone interact. energy: 1.383
local terms energy: -488.569164
where:
bonds (distance) C4'-P energy: -86.119
bonds (distance) P-C4' energy: -89.296
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -80.414
tors. eta vs tors. theta energy: -126.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1366.112797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.112797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.112797 (E_RNA)
where:
Base-Base interactions energy: -924.380
where: short stacking energy: -395.199
Base-Backbone interact. energy: 1.451
local terms energy: -443.184390
where:
bonds (distance) C4'-P energy: -88.103
bonds (distance) P-C4' energy: -79.628
flat angles C4'-P-C4' energy: -93.563
flat angles P-C4'-P energy: -67.341
tors. eta vs tors. theta energy: -114.549
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: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1224.021489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.021489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.021489 (E_RNA)
where:
Base-Base interactions energy: -794.001
where: short stacking energy: -359.082
Base-Backbone interact. energy: 0.856
local terms energy: -430.876544
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -90.421
flat angles C4'-P-C4' energy: -102.503
flat angles P-C4'-P energy: -71.957
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: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -859.774880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.774880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.774880 (E_RNA)
where:
Base-Base interactions energy: -511.104
where: short stacking energy: -246.995
Base-Backbone interact. energy: -2.805
local terms energy: -345.866520
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -77.159
flat angles C4'-P-C4' energy: -91.944
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -512.314037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.314037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.314037 (E_RNA)
where:
Base-Base interactions energy: -215.830
where: short stacking energy: -157.716
Base-Backbone interact. energy: 1.082
local terms energy: -297.566033
where:
bonds (distance) C4'-P energy: -88.131
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -72.323
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -2.972
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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1849.541455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.541455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.541455 (E_RNA)
where:
Base-Base interactions energy: -1254.519
where: short stacking energy: -555.593
Base-Backbone interact. energy: -2.991
local terms energy: -592.031410
where:
bonds (distance) C4'-P energy: -111.229
bonds (distance) P-C4' energy: -110.136
flat angles C4'-P-C4' energy: -119.592
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -159.616
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: 257
Temperature: 0.950000
Total energy: -1832.308080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.308080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.308080 (E_RNA)
where:
Base-Base interactions energy: -1248.139
where: short stacking energy: -575.580
Base-Backbone interact. energy: 6.534
local terms energy: -590.703398
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -113.814
flat angles C4'-P-C4' energy: -129.450
flat angles P-C4'-P energy: -82.098
tors. eta vs tors. theta energy: -167.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1726.694115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.694115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.694115 (E_RNA)
where:
Base-Base interactions energy: -1182.601
where: short stacking energy: -519.137
Base-Backbone interact. energy: 1.058
local terms energy: -545.150998
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -96.773
flat angles C4'-P-C4' energy: -116.079
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -155.044
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: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1650.075025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.075025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.075025 (E_RNA)
where:
Base-Base interactions energy: -1123.793
where: short stacking energy: -476.989
Base-Backbone interact. energy: -1.464
local terms energy: -524.817709
where:
bonds (distance) C4'-P energy: -109.632
bonds (distance) P-C4' energy: -102.043
flat angles C4'-P-C4' energy: -109.804
flat angles P-C4'-P energy: -67.252
tors. eta vs tors. theta energy: -136.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1561.133453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.133453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.133453 (E_RNA)
where:
Base-Base interactions energy: -1048.213
where: short stacking energy: -461.351
Base-Backbone interact. energy: 0.883
local terms energy: -513.802943
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -100.677
flat angles C4'-P-C4' energy: -108.171
flat angles P-C4'-P energy: -73.104
tors. eta vs tors. theta energy: -129.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1528.445492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.445492 (E_RNA)
where:
Base-Base interactions energy: -1035.880
where: short stacking energy: -460.941
Base-Backbone interact. energy: -1.968
local terms energy: -490.597091
where:
bonds (distance) C4'-P energy: -87.513
bonds (distance) P-C4' energy: -92.725
flat angles C4'-P-C4' energy: -105.461
flat angles P-C4'-P energy: -70.929
tors. eta vs tors. theta energy: -133.969
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1392.419405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.419405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.419405 (E_RNA)
where:
Base-Base interactions energy: -921.254
where: short stacking energy: -397.613
Base-Backbone interact. energy: -1.898
local terms energy: -469.267491
where:
bonds (distance) C4'-P energy: -96.808
bonds (distance) P-C4' energy: -88.160
flat angles C4'-P-C4' energy: -106.167
flat angles P-C4'-P energy: -72.391
tors. eta vs tors. theta energy: -105.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1140.623239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.623239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.623239 (E_RNA)
where:
Base-Base interactions energy: -756.486
where: short stacking energy: -317.988
Base-Backbone interact. energy: -0.283
local terms energy: -383.854969
where:
bonds (distance) C4'-P energy: -87.953
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -75.874
flat angles P-C4'-P energy: -62.041
tors. eta vs tors. theta energy: -70.840
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -854.371116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.371116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.371116 (E_RNA)
where:
Base-Base interactions energy: -480.159
where: short stacking energy: -241.537
Base-Backbone interact. energy: 2.289
local terms energy: -376.501095
where:
bonds (distance) C4'-P energy: -87.850
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -92.424
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -42.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -575.399156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.399156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.399156 (E_RNA)
where:
Base-Base interactions energy: -282.110
where: short stacking energy: -141.145
Base-Backbone interact. energy: 0.603
local terms energy: -293.893029
where:
bonds (distance) C4'-P energy: -82.432
bonds (distance) P-C4' energy: -89.549
flat angles C4'-P-C4' energy: -75.931
flat angles P-C4'-P energy: -56.972
tors. eta vs tors. theta energy: 10.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1890.205316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.205316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.205316 (E_RNA)
where:
Base-Base interactions energy: -1286.861
where: short stacking energy: -561.181
Base-Backbone interact. energy: -3.400
local terms energy: -599.944582
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -106.602
flat angles C4'-P-C4' energy: -129.693
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -164.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1819.277315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.277315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.277315 (E_RNA)
where:
Base-Base interactions energy: -1233.399
where: short stacking energy: -562.673
Base-Backbone interact. energy: 0.115
local terms energy: -585.993798
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -111.949
flat angles C4'-P-C4' energy: -113.334
flat angles P-C4'-P energy: -85.241
tors. eta vs tors. theta energy: -171.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1713.532946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.532946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.532946 (E_RNA)
where:
Base-Base interactions energy: -1180.972
where: short stacking energy: -545.302
Base-Backbone interact. energy: -2.661
local terms energy: -529.900283
where:
bonds (distance) C4'-P energy: -88.624
bonds (distance) P-C4' energy: -108.158
flat angles C4'-P-C4' energy: -110.532
flat angles P-C4'-P energy: -78.072
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1677.036274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.036274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.036274 (E_RNA)
where:
Base-Base interactions energy: -1143.149
where: short stacking energy: -489.007
Base-Backbone interact. energy: -2.440
local terms energy: -531.447316
where:
bonds (distance) C4'-P energy: -101.284
bonds (distance) P-C4' energy: -100.991
flat angles C4'-P-C4' energy: -117.318
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -140.141
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: 258
Temperature: 1.100000
Total energy: -1557.415013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.415013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.415013 (E_RNA)
where:
Base-Base interactions energy: -1077.781
where: short stacking energy: -464.146
Base-Backbone interact. energy: -1.796
local terms energy: -477.837654
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -90.306
flat angles C4'-P-C4' energy: -106.596
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -117.075
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: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1524.073489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.073489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.073489 (E_RNA)
where:
Base-Base interactions energy: -1031.072
where: short stacking energy: -444.887
Base-Backbone interact. energy: -0.783
local terms energy: -492.218784
where:
bonds (distance) C4'-P energy: -79.575
bonds (distance) P-C4' energy: -101.122
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -78.589
tors. eta vs tors. theta energy: -133.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1390.367438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.367438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.367438 (E_RNA)
where:
Base-Base interactions energy: -935.761
where: short stacking energy: -412.122
Base-Backbone interact. energy: -0.649
local terms energy: -453.957505
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -107.535
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -106.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1169.530822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.530822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.530822 (E_RNA)
where:
Base-Base interactions energy: -745.938
where: short stacking energy: -309.596
Base-Backbone interact. energy: 3.581
local terms energy: -427.173671
where:
bonds (distance) C4'-P energy: -90.046
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -102.726
flat angles P-C4'-P energy: -64.853
tors. eta vs tors. theta energy: -71.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -842.949384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.949384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.949384 (E_RNA)
where:
Base-Base interactions energy: -502.026
where: short stacking energy: -251.134
Base-Backbone interact. energy: -0.221
local terms energy: -340.702804
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -90.084
flat angles C4'-P-C4' energy: -85.520
flat angles P-C4'-P energy: -43.477
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -587.695383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.695383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.695383 (E_RNA)
where:
Base-Base interactions energy: -274.793
where: short stacking energy: -150.255
Base-Backbone interact. energy: 0.123
local terms energy: -313.025916
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -105.311
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -48.807
tors. eta vs tors. theta energy: -2.320
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: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1905.958685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.958685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.958685 (E_RNA)
where:
Base-Base interactions energy: -1310.309
where: short stacking energy: -582.674
Base-Backbone interact. energy: -3.474
local terms energy: -592.176309
where:
bonds (distance) C4'-P energy: -111.363
bonds (distance) P-C4' energy: -94.827
flat angles C4'-P-C4' energy: -121.842
flat angles P-C4'-P energy: -93.461
tors. eta vs tors. theta energy: -170.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1807.563951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.563951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.563951 (E_RNA)
where:
Base-Base interactions energy: -1232.081
where: short stacking energy: -550.283
Base-Backbone interact. energy: -1.765
local terms energy: -573.718641
where:
bonds (distance) C4'-P energy: -85.592
bonds (distance) P-C4' energy: -104.960
flat angles C4'-P-C4' energy: -124.846
flat angles P-C4'-P energy: -89.385
tors. eta vs tors. theta energy: -168.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1746.774902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.774902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.774902 (E_RNA)
where:
Base-Base interactions energy: -1196.045
where: short stacking energy: -539.996
Base-Backbone interact. energy: -2.102
local terms energy: -548.627843
where:
bonds (distance) C4'-P energy: -104.810
bonds (distance) P-C4' energy: -97.943
flat angles C4'-P-C4' energy: -122.596
flat angles P-C4'-P energy: -75.141
tors. eta vs tors. theta energy: -148.138
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1702.204404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.204404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.204404 (E_RNA)
where:
Base-Base interactions energy: -1179.697
where: short stacking energy: -517.098
Base-Backbone interact. energy: 3.394
local terms energy: -525.901541
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -94.761
flat angles C4'-P-C4' energy: -110.055
flat angles P-C4'-P energy: -85.920
tors. eta vs tors. theta energy: -146.012
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1567.579058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.579058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.579058 (E_RNA)
where:
Base-Base interactions energy: -1050.205
where: short stacking energy: -446.424
Base-Backbone interact. energy: -0.202
local terms energy: -517.172241
where:
bonds (distance) C4'-P energy: -99.356
bonds (distance) P-C4' energy: -99.710
flat angles C4'-P-C4' energy: -117.643
flat angles P-C4'-P energy: -85.050
tors. eta vs tors. theta energy: -115.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1529.388134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.388134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.388134 (E_RNA)
where:
Base-Base interactions energy: -1036.230
where: short stacking energy: -464.013
Base-Backbone interact. energy: 1.881
local terms energy: -495.039703
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -97.026
flat angles P-C4'-P energy: -70.427
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1392.411219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.411219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.411219 (E_RNA)
where:
Base-Base interactions energy: -916.406
where: short stacking energy: -398.205
Base-Backbone interact. energy: -2.796
local terms energy: -473.209802
where:
bonds (distance) C4'-P energy: -85.126
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -111.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1156.104233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.104233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.104233 (E_RNA)
where:
Base-Base interactions energy: -758.624
where: short stacking energy: -323.425
Base-Backbone interact. energy: -2.665
local terms energy: -394.814672
where:
bonds (distance) C4'-P energy: -76.584
bonds (distance) P-C4' energy: -101.155
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -66.256
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: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -838.721322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.721322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.721322 (E_RNA)
where:
Base-Base interactions energy: -487.491
where: short stacking energy: -241.667
Base-Backbone interact. energy: -3.213
local terms energy: -348.017894
where:
bonds (distance) C4'-P energy: -91.336
bonds (distance) P-C4' energy: -94.073
flat angles C4'-P-C4' energy: -87.316
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -579.346679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.346679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.346679 (E_RNA)
where:
Base-Base interactions energy: -291.675
where: short stacking energy: -173.761
Base-Backbone interact. energy: -2.763
local terms energy: -284.909031
where:
bonds (distance) C4'-P energy: -91.151
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -78.541
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1899.527774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.527774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.527774 (E_RNA)
where:
Base-Base interactions energy: -1294.248
where: short stacking energy: -568.837
Base-Backbone interact. energy: -4.228
local terms energy: -601.051862
where:
bonds (distance) C4'-P energy: -108.397
bonds (distance) P-C4' energy: -110.740
flat angles C4'-P-C4' energy: -120.690
flat angles P-C4'-P energy: -91.758
tors. eta vs tors. theta energy: -169.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1819.405926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.405926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.405926 (E_RNA)
where:
Base-Base interactions energy: -1230.276
where: short stacking energy: -542.728
Base-Backbone interact. energy: -3.444
local terms energy: -585.686033
where:
bonds (distance) C4'-P energy: -102.396
bonds (distance) P-C4' energy: -112.242
flat angles C4'-P-C4' energy: -121.178
flat angles P-C4'-P energy: -91.384
tors. eta vs tors. theta energy: -158.487
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: 260
Temperature: 1.000000
Total energy: -1728.615400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.615400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.615400 (E_RNA)
where:
Base-Base interactions energy: -1164.343
where: short stacking energy: -505.906
Base-Backbone interact. energy: -3.896
local terms energy: -560.377116
where:
bonds (distance) C4'-P energy: -110.626
bonds (distance) P-C4' energy: -107.377
flat angles C4'-P-C4' energy: -116.776
flat angles P-C4'-P energy: -76.334
tors. eta vs tors. theta energy: -149.263
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1687.511566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.511566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.511566 (E_RNA)
where:
Base-Base interactions energy: -1149.853
where: short stacking energy: -497.657
Base-Backbone interact. energy: -2.386
local terms energy: -535.273302
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -102.240
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -75.227
tors. eta vs tors. theta energy: -144.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1583.021833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.021833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.021833 (E_RNA)
where:
Base-Base interactions energy: -1076.603
where: short stacking energy: -488.533
Base-Backbone interact. energy: -2.100
local terms energy: -504.318906
where:
bonds (distance) C4'-P energy: -83.691
bonds (distance) P-C4' energy: -90.834
flat angles C4'-P-C4' energy: -115.192
flat angles P-C4'-P energy: -67.985
tors. eta vs tors. theta energy: -146.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1514.166530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.166530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.166530 (E_RNA)
where:
Base-Base interactions energy: -1025.191
where: short stacking energy: -433.316
Base-Backbone interact. energy: 2.106
local terms energy: -491.081128
where:
bonds (distance) C4'-P energy: -109.279
bonds (distance) P-C4' energy: -99.504
flat angles C4'-P-C4' energy: -103.411
flat angles P-C4'-P energy: -58.144
tors. eta vs tors. theta energy: -120.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1410.163864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.163864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.163864 (E_RNA)
where:
Base-Base interactions energy: -958.144
where: short stacking energy: -408.854
Base-Backbone interact. energy: -1.416
local terms energy: -450.603691
where:
bonds (distance) C4'-P energy: -78.284
bonds (distance) P-C4' energy: -77.853
flat angles C4'-P-C4' energy: -113.595
flat angles P-C4'-P energy: -61.460
tors. eta vs tors. theta energy: -119.411
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: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1144.106074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.106074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.106074 (E_RNA)
where:
Base-Base interactions energy: -707.069
where: short stacking energy: -322.932
Base-Backbone interact. energy: 2.188
local terms energy: -439.224988
where:
bonds (distance) C4'-P energy: -94.183
bonds (distance) P-C4' energy: -105.222
flat angles C4'-P-C4' energy: -101.222
flat angles P-C4'-P energy: -57.961
tors. eta vs tors. theta energy: -80.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -897.575337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.575337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.575337 (E_RNA)
where:
Base-Base interactions energy: -541.724
where: short stacking energy: -268.297
Base-Backbone interact. energy: -2.519
local terms energy: -353.332370
where:
bonds (distance) C4'-P energy: -69.417
bonds (distance) P-C4' energy: -97.680
flat angles C4'-P-C4' energy: -78.317
flat angles P-C4'-P energy: -63.271
tors. eta vs tors. theta energy: -44.648
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: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -535.717253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.717253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.717253 (E_RNA)
where:
Base-Base interactions energy: -254.565
where: short stacking energy: -161.471
Base-Backbone interact. energy: 1.508
local terms energy: -282.660167
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -90.293
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: 12.013
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1898.777704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.777704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.777704 (E_RNA)
where:
Base-Base interactions energy: -1318.206
where: short stacking energy: -568.776
Base-Backbone interact. energy: -1.266
local terms energy: -579.304939
where:
bonds (distance) C4'-P energy: -100.754
bonds (distance) P-C4' energy: -90.277
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -89.410
tors. eta vs tors. theta energy: -174.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1786.236350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.236350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.236350 (E_RNA)
where:
Base-Base interactions energy: -1189.021
where: short stacking energy: -515.746
Base-Backbone interact. energy: -5.021
local terms energy: -592.194200
where:
bonds (distance) C4'-P energy: -102.090
bonds (distance) P-C4' energy: -117.788
flat angles C4'-P-C4' energy: -128.132
flat angles P-C4'-P energy: -84.472
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: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1776.976116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.976116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.976116 (E_RNA)
where:
Base-Base interactions energy: -1203.221
where: short stacking energy: -543.060
Base-Backbone interact. energy: -0.524
local terms energy: -573.231215
where:
bonds (distance) C4'-P energy: -107.985
bonds (distance) P-C4' energy: -106.757
flat angles C4'-P-C4' energy: -113.118
flat angles P-C4'-P energy: -78.102
tors. eta vs tors. theta energy: -167.270
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: 261
Temperature: 1.050000
Total energy: -1655.462044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.462044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.462044 (E_RNA)
where:
Base-Base interactions energy: -1134.220
where: short stacking energy: -490.666
Base-Backbone interact. energy: -2.150
local terms energy: -519.092323
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -94.293
flat angles C4'-P-C4' energy: -117.345
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -133.891
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: 261
Temperature: 1.100000
Total energy: -1534.368497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.368497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.368497 (E_RNA)
where:
Base-Base interactions energy: -1052.651
where: short stacking energy: -468.768
Base-Backbone interact. energy: -0.527
local terms energy: -481.189895
where:
bonds (distance) C4'-P energy: -84.355
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -114.211
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -121.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1546.409028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.409028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.409028 (E_RNA)
where:
Base-Base interactions energy: -1051.816
where: short stacking energy: -465.631
Base-Backbone interact. energy: -1.305
local terms energy: -493.287680
where:
bonds (distance) C4'-P energy: -77.493
bonds (distance) P-C4' energy: -91.873
flat angles C4'-P-C4' energy: -115.063
flat angles P-C4'-P energy: -73.930
tors. eta vs tors. theta energy: -134.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1419.271184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.271184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.271184 (E_RNA)
where:
Base-Base interactions energy: -961.239
where: short stacking energy: -422.806
Base-Backbone interact. energy: -1.345
local terms energy: -456.687359
where:
bonds (distance) C4'-P energy: -88.782
bonds (distance) P-C4' energy: -86.821
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -54.564
tors. eta vs tors. theta energy: -121.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1182.323544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.323544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.323544 (E_RNA)
where:
Base-Base interactions energy: -786.721
where: short stacking energy: -360.969
Base-Backbone interact. energy: 0.423
local terms energy: -396.025508
where:
bonds (distance) C4'-P energy: -95.552
bonds (distance) P-C4' energy: -82.862
flat angles C4'-P-C4' energy: -94.885
flat angles P-C4'-P energy: -40.681
tors. eta vs tors. theta energy: -82.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -889.509950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.509950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.509950 (E_RNA)
where:
Base-Base interactions energy: -520.369
where: short stacking energy: -273.377
Base-Backbone interact. energy: 0.935
local terms energy: -370.076226
where:
bonds (distance) C4'-P energy: -86.989
bonds (distance) P-C4' energy: -106.924
flat angles C4'-P-C4' energy: -77.347
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -43.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -564.465418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.465418 (E_RNA)
where:
Base-Base interactions energy: -275.099
where: short stacking energy: -163.907
Base-Backbone interact. energy: -2.553
local terms energy: -286.813460
where:
bonds (distance) C4'-P energy: -79.658
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -95.639
flat angles P-C4'-P energy: -31.517
tors. eta vs tors. theta energy: 6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1870.651017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.651017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.651017 (E_RNA)
where:
Base-Base interactions energy: -1293.827
where: short stacking energy: -552.912
Base-Backbone interact. energy: -1.586
local terms energy: -575.237486
where:
bonds (distance) C4'-P energy: -99.096
bonds (distance) P-C4' energy: -106.153
flat angles C4'-P-C4' energy: -130.771
flat angles P-C4'-P energy: -83.872
tors. eta vs tors. theta energy: -155.346
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1787.048951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.048951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.048951 (E_RNA)
where:
Base-Base interactions energy: -1215.143
where: short stacking energy: -546.430
Base-Backbone interact. energy: 2.779
local terms energy: -574.684215
where:
bonds (distance) C4'-P energy: -99.950
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -124.147
flat angles P-C4'-P energy: -89.926
tors. eta vs tors. theta energy: -156.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1696.183569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.183569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.183569 (E_RNA)
where:
Base-Base interactions energy: -1147.695
where: short stacking energy: -530.500
Base-Backbone interact. energy: -3.539
local terms energy: -544.949130
where:
bonds (distance) C4'-P energy: -101.223
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -117.937
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -152.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1707.970585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.970585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.970585 (E_RNA)
where:
Base-Base interactions energy: -1173.760
where: short stacking energy: -532.888
Base-Backbone interact. energy: -1.413
local terms energy: -532.797486
where:
bonds (distance) C4'-P energy: -90.693
bonds (distance) P-C4' energy: -100.165
flat angles C4'-P-C4' energy: -110.339
flat angles P-C4'-P energy: -78.487
tors. eta vs tors. theta energy: -153.113
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: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1554.732452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.732452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.732452 (E_RNA)
where:
Base-Base interactions energy: -1043.804
where: short stacking energy: -464.332
Base-Backbone interact. energy: 2.517
local terms energy: -513.445472
where:
bonds (distance) C4'-P energy: -86.956
bonds (distance) P-C4' energy: -110.265
flat angles C4'-P-C4' energy: -112.827
flat angles P-C4'-P energy: -72.567
tors. eta vs tors. theta energy: -130.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1532.879033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.879033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.879033 (E_RNA)
where:
Base-Base interactions energy: -1043.556
where: short stacking energy: -436.141
Base-Backbone interact. energy: 1.953
local terms energy: -491.276096
where:
bonds (distance) C4'-P energy: -89.171
bonds (distance) P-C4' energy: -97.267
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -127.303
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1416.919938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.919938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.919938 (E_RNA)
where:
Base-Base interactions energy: -938.314
where: short stacking energy: -406.568
Base-Backbone interact. energy: -0.786
local terms energy: -477.819797
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -114.117
flat angles P-C4'-P energy: -58.481
tors. eta vs tors. theta energy: -112.958
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: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1166.738597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.738597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.738597 (E_RNA)
where:
Base-Base interactions energy: -770.790
where: short stacking energy: -329.675
Base-Backbone interact. energy: -0.255
local terms energy: -395.693317
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -92.323
flat angles C4'-P-C4' energy: -96.651
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: -78.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -878.968400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.968400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.968400 (E_RNA)
where:
Base-Base interactions energy: -504.734
where: short stacking energy: -244.631
Base-Backbone interact. energy: 0.709
local terms energy: -374.942837
where:
bonds (distance) C4'-P energy: -98.196
bonds (distance) P-C4' energy: -90.713
flat angles C4'-P-C4' energy: -98.437
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -37.189
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -567.174176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.174176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.174176 (E_RNA)
where:
Base-Base interactions energy: -256.524
where: short stacking energy: -148.997
Base-Backbone interact. energy: -2.534
local terms energy: -308.116430
where:
bonds (distance) C4'-P energy: -100.196
bonds (distance) P-C4' energy: -75.200
flat angles C4'-P-C4' energy: -84.922
flat angles P-C4'-P energy: -49.919
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1886.668769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.668769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.668769 (E_RNA)
where:
Base-Base interactions energy: -1304.962
where: short stacking energy: -586.212
Base-Backbone interact. energy: -3.698
local terms energy: -578.008680
where:
bonds (distance) C4'-P energy: -99.650
bonds (distance) P-C4' energy: -104.064
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -81.141
tors. eta vs tors. theta energy: -165.644
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: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1796.591990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.591990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.591990 (E_RNA)
where:
Base-Base interactions energy: -1196.982
where: short stacking energy: -539.543
Base-Backbone interact. energy: -1.936
local terms energy: -597.674357
where:
bonds (distance) C4'-P energy: -98.838
bonds (distance) P-C4' energy: -115.349
flat angles C4'-P-C4' energy: -116.941
flat angles P-C4'-P energy: -92.096
tors. eta vs tors. theta energy: -174.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1748.527576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.527576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.527576 (E_RNA)
where:
Base-Base interactions energy: -1187.542
where: short stacking energy: -507.974
Base-Backbone interact. energy: 0.197
local terms energy: -561.182899
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -113.378
flat angles C4'-P-C4' energy: -120.867
flat angles P-C4'-P energy: -81.392
tors. eta vs tors. theta energy: -150.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1731.194856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.194856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.194856 (E_RNA)
where:
Base-Base interactions energy: -1173.566
where: short stacking energy: -521.319
Base-Backbone interact. energy: -2.081
local terms energy: -555.548130
where:
bonds (distance) C4'-P energy: -98.369
bonds (distance) P-C4' energy: -104.010
flat angles C4'-P-C4' energy: -118.496
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -155.277
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: 263
Temperature: 1.100000
Total energy: -1573.381534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.381534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.381534 (E_RNA)
where:
Base-Base interactions energy: -1049.267
where: short stacking energy: -455.884
Base-Backbone interact. energy: -2.047
local terms energy: -522.067912
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -103.711
flat angles C4'-P-C4' energy: -121.232
flat angles P-C4'-P energy: -79.006
tors. eta vs tors. theta energy: -126.418
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1555.645757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.645757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.645757 (E_RNA)
where:
Base-Base interactions energy: -1081.800
where: short stacking energy: -464.487
Base-Backbone interact. energy: -1.420
local terms energy: -472.425739
where:
bonds (distance) C4'-P energy: -91.181
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -108.644
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -124.336
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: 263
Temperature: 1.200000
Total energy: -1415.313758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.313758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.313758 (E_RNA)
where:
Base-Base interactions energy: -960.480
where: short stacking energy: -400.691
Base-Backbone interact. energy: -1.346
local terms energy: -453.487094
where:
bonds (distance) C4'-P energy: -103.229
bonds (distance) P-C4' energy: -83.432
flat angles C4'-P-C4' energy: -101.216
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: -103.883
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: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1210.616342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.616342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.616342 (E_RNA)
where:
Base-Base interactions energy: -807.454
where: short stacking energy: -348.703
Base-Backbone interact. energy: -1.151
local terms energy: -402.010503
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -89.800
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -62.921
tors. eta vs tors. theta energy: -83.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -879.564342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.564342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.564342 (E_RNA)
where:
Base-Base interactions energy: -510.285
where: short stacking energy: -260.851
Base-Backbone interact. energy: 1.692
local terms energy: -370.971607
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -87.366
flat angles C4'-P-C4' energy: -84.975
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -43.252
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -588.136200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.136200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.136200 (E_RNA)
where:
Base-Base interactions energy: -294.402
where: short stacking energy: -164.352
Base-Backbone interact. energy: 3.507
local terms energy: -297.241098
where:
bonds (distance) C4'-P energy: -69.275
bonds (distance) P-C4' energy: -90.633
flat angles C4'-P-C4' energy: -92.089
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1869.582631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.582631 (E_RNA)
where:
Base-Base interactions energy: -1266.778
where: short stacking energy: -607.535
Base-Backbone interact. energy: -1.924
local terms energy: -600.881251
where:
bonds (distance) C4'-P energy: -114.267
bonds (distance) P-C4' energy: -96.836
flat angles C4'-P-C4' energy: -130.637
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -179.354
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: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1844.338882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.338882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.338882 (E_RNA)
where:
Base-Base interactions energy: -1274.852
where: short stacking energy: -548.152
Base-Backbone interact. energy: -0.874
local terms energy: -568.612211
where:
bonds (distance) C4'-P energy: -84.023
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -130.794
flat angles P-C4'-P energy: -88.461
tors. eta vs tors. theta energy: -161.046
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: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1763.603308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.603308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.603308 (E_RNA)
where:
Base-Base interactions energy: -1211.811
where: short stacking energy: -540.202
Base-Backbone interact. energy: 1.609
local terms energy: -553.401137
where:
bonds (distance) C4'-P energy: -98.919
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -111.687
flat angles P-C4'-P energy: -89.143
tors. eta vs tors. theta energy: -153.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1668.108545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.108545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.108545 (E_RNA)
where:
Base-Base interactions energy: -1120.036
where: short stacking energy: -497.773
Base-Backbone interact. energy: -1.469
local terms energy: -546.603575
where:
bonds (distance) C4'-P energy: -105.107
bonds (distance) P-C4' energy: -103.402
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -69.390
tors. eta vs tors. theta energy: -149.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1583.681214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.681214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.681214 (E_RNA)
where:
Base-Base interactions energy: -1084.268
where: short stacking energy: -453.092
Base-Backbone interact. energy: -1.835
local terms energy: -497.578250
where:
bonds (distance) C4'-P energy: -100.154
bonds (distance) P-C4' energy: -89.067
flat angles C4'-P-C4' energy: -105.498
flat angles P-C4'-P energy: -76.665
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: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1521.852876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.852876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.852876 (E_RNA)
where:
Base-Base interactions energy: -1048.204
where: short stacking energy: -474.002
Base-Backbone interact. energy: -3.542
local terms energy: -470.106207
where:
bonds (distance) C4'-P energy: -79.587
bonds (distance) P-C4' energy: -87.553
flat angles C4'-P-C4' energy: -109.717
flat angles P-C4'-P energy: -72.734
tors. eta vs tors. theta energy: -120.516
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1352.769607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.769607 (E_RNA)
where:
Base-Base interactions energy: -901.557
where: short stacking energy: -384.621
Base-Backbone interact. energy: -1.886
local terms energy: -449.327426
where:
bonds (distance) C4'-P energy: -75.647
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -94.296
flat angles P-C4'-P energy: -67.221
tors. eta vs tors. theta energy: -105.244
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: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1228.973675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.973675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.973675 (E_RNA)
where:
Base-Base interactions energy: -837.833
where: short stacking energy: -365.540
Base-Backbone interact. energy: -1.453
local terms energy: -389.687874
where:
bonds (distance) C4'-P energy: -71.923
bonds (distance) P-C4' energy: -95.133
flat angles C4'-P-C4' energy: -83.130
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -86.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -837.626707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.626707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.626707 (E_RNA)
where:
Base-Base interactions energy: -493.434
where: short stacking energy: -251.804
Base-Backbone interact. energy: -1.844
local terms energy: -342.349302
where:
bonds (distance) C4'-P energy: -72.497
bonds (distance) P-C4' energy: -112.100
flat angles C4'-P-C4' energy: -69.076
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -38.269
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: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -576.840591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.840591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.840591 (E_RNA)
where:
Base-Base interactions energy: -303.187
where: short stacking energy: -178.646
Base-Backbone interact. energy: 6.056
local terms energy: -279.709293
where:
bonds (distance) C4'-P energy: -78.060
bonds (distance) P-C4' energy: -84.292
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -6.989
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1845.635955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.635955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.635955 (E_RNA)
where:
Base-Base interactions energy: -1259.659
where: short stacking energy: -573.718
Base-Backbone interact. energy: -1.350
local terms energy: -584.627006
where:
bonds (distance) C4'-P energy: -100.277
bonds (distance) P-C4' energy: -110.189
flat angles C4'-P-C4' energy: -122.512
flat angles P-C4'-P energy: -82.384
tors. eta vs tors. theta energy: -169.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1845.030265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.030265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.030265 (E_RNA)
where:
Base-Base interactions energy: -1254.502
where: short stacking energy: -555.491
Base-Backbone interact. energy: -3.742
local terms energy: -586.786036
where:
bonds (distance) C4'-P energy: -102.982
bonds (distance) P-C4' energy: -116.635
flat angles C4'-P-C4' energy: -122.638
flat angles P-C4'-P energy: -79.458
tors. eta vs tors. theta energy: -165.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1739.509954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.509954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.509954 (E_RNA)
where:
Base-Base interactions energy: -1180.354
where: short stacking energy: -538.798
Base-Backbone interact. energy: -3.430
local terms energy: -555.725755
where:
bonds (distance) C4'-P energy: -93.471
bonds (distance) P-C4' energy: -101.551
flat angles C4'-P-C4' energy: -124.399
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -153.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1655.752691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.752691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.752691 (E_RNA)
where:
Base-Base interactions energy: -1120.558
where: short stacking energy: -458.107
Base-Backbone interact. energy: -2.405
local terms energy: -532.789800
where:
bonds (distance) C4'-P energy: -105.594
bonds (distance) P-C4' energy: -99.510
flat angles C4'-P-C4' energy: -113.682
flat angles P-C4'-P energy: -75.305
tors. eta vs tors. theta energy: -138.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1621.362024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.362024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.362024 (E_RNA)
where:
Base-Base interactions energy: -1114.875
where: short stacking energy: -458.736
Base-Backbone interact. energy: 1.481
local terms energy: -507.967833
where:
bonds (distance) C4'-P energy: -99.914
bonds (distance) P-C4' energy: -95.150
flat angles C4'-P-C4' energy: -108.817
flat angles P-C4'-P energy: -78.451
tors. eta vs tors. theta energy: -125.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1475.253738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.253738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.253738 (E_RNA)
where:
Base-Base interactions energy: -1007.963
where: short stacking energy: -450.956
Base-Backbone interact. energy: -2.504
local terms energy: -464.786915
where:
bonds (distance) C4'-P energy: -88.211
bonds (distance) P-C4' energy: -90.910
flat angles C4'-P-C4' energy: -108.303
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -121.358
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: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1423.618277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.618277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.618277 (E_RNA)
where:
Base-Base interactions energy: -943.314
where: short stacking energy: -435.398
Base-Backbone interact. energy: -2.592
local terms energy: -477.711879
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -103.686
flat angles C4'-P-C4' energy: -103.424
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -111.354
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1200.247599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.247599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.247599 (E_RNA)
where:
Base-Base interactions energy: -779.705
where: short stacking energy: -342.781
Base-Backbone interact. energy: 1.362
local terms energy: -421.904721
where:
bonds (distance) C4'-P energy: -85.836
bonds (distance) P-C4' energy: -87.760
flat angles C4'-P-C4' energy: -94.562
flat angles P-C4'-P energy: -67.718
tors. eta vs tors. theta energy: -86.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -858.098249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.098249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.098249 (E_RNA)
where:
Base-Base interactions energy: -503.388
where: short stacking energy: -244.999
Base-Backbone interact. energy: -0.405
local terms energy: -354.305899
where:
bonds (distance) C4'-P energy: -85.305
bonds (distance) P-C4' energy: -89.032
flat angles C4'-P-C4' energy: -85.937
flat angles P-C4'-P energy: -51.433
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -567.939390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.939390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.939390 (E_RNA)
where:
Base-Base interactions energy: -276.251
where: short stacking energy: -158.612
Base-Backbone interact. energy: 5.611
local terms energy: -297.299877
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -68.103
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -47.742
tors. eta vs tors. theta energy: -5.989
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1861.304582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.304582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.304582 (E_RNA)
where:
Base-Base interactions energy: -1276.808
where: short stacking energy: -564.513
Base-Backbone interact. energy: -1.531
local terms energy: -582.965861
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -98.056
flat angles C4'-P-C4' energy: -120.341
flat angles P-C4'-P energy: -83.765
tors. eta vs tors. theta energy: -162.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1834.641028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.641028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.641028 (E_RNA)
where:
Base-Base interactions energy: -1265.003
where: short stacking energy: -550.657
Base-Backbone interact. energy: -6.433
local terms energy: -563.204513
where:
bonds (distance) C4'-P energy: -104.573
bonds (distance) P-C4' energy: -98.480
flat angles C4'-P-C4' energy: -111.463
flat angles P-C4'-P energy: -89.303
tors. eta vs tors. theta energy: -159.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1772.769646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.769646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.769646 (E_RNA)
where:
Base-Base interactions energy: -1214.973
where: short stacking energy: -555.048
Base-Backbone interact. energy: 0.536
local terms energy: -558.331859
where:
bonds (distance) C4'-P energy: -108.025
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -117.412
flat angles P-C4'-P energy: -77.058
tors. eta vs tors. theta energy: -167.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1667.431811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.431811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.431811 (E_RNA)
where:
Base-Base interactions energy: -1137.096
where: short stacking energy: -514.353
Base-Backbone interact. energy: -1.065
local terms energy: -529.270730
where:
bonds (distance) C4'-P energy: -89.553
bonds (distance) P-C4' energy: -98.608
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -86.990
tors. eta vs tors. theta energy: -143.932
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: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1576.312833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.312833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.312833 (E_RNA)
where:
Base-Base interactions energy: -1086.518
where: short stacking energy: -455.790
Base-Backbone interact. energy: -0.469
local terms energy: -489.325725
where:
bonds (distance) C4'-P energy: -93.404
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -59.057
tors. eta vs tors. theta energy: -125.748
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1487.906062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.906062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.906062 (E_RNA)
where:
Base-Base interactions energy: -1015.216
where: short stacking energy: -446.146
Base-Backbone interact. energy: -0.066
local terms energy: -472.623587
where:
bonds (distance) C4'-P energy: -103.691
bonds (distance) P-C4' energy: -77.070
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -68.014
tors. eta vs tors. theta energy: -121.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1369.731306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.731306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.731306 (E_RNA)
where:
Base-Base interactions energy: -913.601
where: short stacking energy: -413.663
Base-Backbone interact. energy: 0.292
local terms energy: -456.421884
where:
bonds (distance) C4'-P energy: -87.242
bonds (distance) P-C4' energy: -91.939
flat angles C4'-P-C4' energy: -100.851
flat angles P-C4'-P energy: -63.718
tors. eta vs tors. theta energy: -112.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1191.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.800318 (E_RNA)
where:
Base-Base interactions energy: -802.339
where: short stacking energy: -351.716
Base-Backbone interact. energy: 3.989
local terms energy: -393.449792
where:
bonds (distance) C4'-P energy: -87.433
bonds (distance) P-C4' energy: -89.753
flat angles C4'-P-C4' energy: -92.201
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -70.837
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: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -825.877042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.877042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.877042 (E_RNA)
where:
Base-Base interactions energy: -478.497
where: short stacking energy: -251.716
Base-Backbone interact. energy: 0.189
local terms energy: -347.568409
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -106.961
flat angles C4'-P-C4' energy: -88.124
flat angles P-C4'-P energy: -54.046
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -613.418133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.418133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.418133 (E_RNA)
where:
Base-Base interactions energy: -297.211
where: short stacking energy: -161.092
Base-Backbone interact. energy: -0.284
local terms energy: -315.922709
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -82.026
flat angles C4'-P-C4' energy: -81.535
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -3.059
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: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1874.127453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.127453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.127453 (E_RNA)
where:
Base-Base interactions energy: -1263.351
where: short stacking energy: -560.119
Base-Backbone interact. energy: -3.753
local terms energy: -607.023621
where:
bonds (distance) C4'-P energy: -111.397
bonds (distance) P-C4' energy: -120.150
flat angles C4'-P-C4' energy: -124.842
flat angles P-C4'-P energy: -81.601
tors. eta vs tors. theta energy: -169.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1835.460744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.460744 (E_RNA)
where:
Base-Base interactions energy: -1251.483
where: short stacking energy: -556.650
Base-Backbone interact. energy: -1.693
local terms energy: -582.284313
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -97.479
flat angles C4'-P-C4' energy: -121.407
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -167.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1750.890028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.890028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.890028 (E_RNA)
where:
Base-Base interactions energy: -1197.942
where: short stacking energy: -513.558
Base-Backbone interact. energy: -1.676
local terms energy: -551.271488
where:
bonds (distance) C4'-P energy: -84.446
bonds (distance) P-C4' energy: -106.579
flat angles C4'-P-C4' energy: -114.883
flat angles P-C4'-P energy: -88.699
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: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1680.550552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.550552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.550552 (E_RNA)
where:
Base-Base interactions energy: -1154.219
where: short stacking energy: -514.731
Base-Backbone interact. energy: -3.057
local terms energy: -523.274276
where:
bonds (distance) C4'-P energy: -99.079
bonds (distance) P-C4' energy: -112.221
flat angles C4'-P-C4' energy: -110.201
flat angles P-C4'-P energy: -59.805
tors. eta vs tors. theta energy: -141.968
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1623.433732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.433732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.433732 (E_RNA)
where:
Base-Base interactions energy: -1094.854
where: short stacking energy: -495.632
Base-Backbone interact. energy: -1.308
local terms energy: -527.272122
where:
bonds (distance) C4'-P energy: -99.351
bonds (distance) P-C4' energy: -107.762
flat angles C4'-P-C4' energy: -115.651
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -137.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1397.978635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.978635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.978635 (E_RNA)
where:
Base-Base interactions energy: -917.025
where: short stacking energy: -405.950
Base-Backbone interact. energy: -1.307
local terms energy: -479.647386
where:
bonds (distance) C4'-P energy: -93.887
bonds (distance) P-C4' energy: -101.714
flat angles C4'-P-C4' energy: -104.219
flat angles P-C4'-P energy: -68.052
tors. eta vs tors. theta energy: -111.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1419.804674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.804674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.804674 (E_RNA)
where:
Base-Base interactions energy: -964.533
where: short stacking energy: -418.590
Base-Backbone interact. energy: 2.845
local terms energy: -458.116652
where:
bonds (distance) C4'-P energy: -77.939
bonds (distance) P-C4' energy: -86.804
flat angles C4'-P-C4' energy: -118.194
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: -115.414
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: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1215.316484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.316484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.316484 (E_RNA)
where:
Base-Base interactions energy: -808.434
where: short stacking energy: -345.814
Base-Backbone interact. energy: -1.712
local terms energy: -405.170495
where:
bonds (distance) C4'-P energy: -101.129
bonds (distance) P-C4' energy: -100.173
flat angles C4'-P-C4' energy: -79.880
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -66.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -838.560392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.560392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.560392 (E_RNA)
where:
Base-Base interactions energy: -489.226
where: short stacking energy: -244.039
Base-Backbone interact. energy: -0.558
local terms energy: -348.776914
where:
bonds (distance) C4'-P energy: -73.998
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -96.397
flat angles P-C4'-P energy: -49.908
tors. eta vs tors. theta energy: -36.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -561.198016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.198016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.198016 (E_RNA)
where:
Base-Base interactions energy: -292.722
where: short stacking energy: -182.824
Base-Backbone interact. energy: 3.748
local terms energy: -272.224117
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -89.468
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: 4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1850.757522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.757522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.757522 (E_RNA)
where:
Base-Base interactions energy: -1267.816
where: short stacking energy: -536.912
Base-Backbone interact. energy: -0.217
local terms energy: -582.724815
where:
bonds (distance) C4'-P energy: -105.290
bonds (distance) P-C4' energy: -117.266
flat angles C4'-P-C4' energy: -123.709
flat angles P-C4'-P energy: -66.918
tors. eta vs tors. theta energy: -169.541
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: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1808.701073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.701073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.701073 (E_RNA)
where:
Base-Base interactions energy: -1260.926
where: short stacking energy: -549.830
Base-Backbone interact. energy: 0.939
local terms energy: -548.714014
where:
bonds (distance) C4'-P energy: -121.484
bonds (distance) P-C4' energy: -93.637
flat angles C4'-P-C4' energy: -105.556
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -161.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1748.453198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.453198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.453198 (E_RNA)
where:
Base-Base interactions energy: -1182.610
where: short stacking energy: -526.533
Base-Backbone interact. energy: -4.437
local terms energy: -561.406908
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -110.619
flat angles C4'-P-C4' energy: -122.404
flat angles P-C4'-P energy: -85.789
tors. eta vs tors. theta energy: -151.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1631.740555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.740555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.740555 (E_RNA)
where:
Base-Base interactions energy: -1111.921
where: short stacking energy: -475.053
Base-Backbone interact. energy: 1.181
local terms energy: -521.000144
where:
bonds (distance) C4'-P energy: -98.454
bonds (distance) P-C4' energy: -98.893
flat angles C4'-P-C4' energy: -108.959
flat angles P-C4'-P energy: -78.132
tors. eta vs tors. theta energy: -136.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1617.107404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.107404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.107404 (E_RNA)
where:
Base-Base interactions energy: -1110.160
where: short stacking energy: -496.150
Base-Backbone interact. energy: -2.338
local terms energy: -504.610118
where:
bonds (distance) C4'-P energy: -102.327
bonds (distance) P-C4' energy: -103.177
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -67.367
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: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1501.225098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.225098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.225098 (E_RNA)
where:
Base-Base interactions energy: -1024.135
where: short stacking energy: -443.021
Base-Backbone interact. energy: 1.298
local terms energy: -478.387234
where:
bonds (distance) C4'-P energy: -98.149
bonds (distance) P-C4' energy: -92.864
flat angles C4'-P-C4' energy: -107.108
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -115.821
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1394.087020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.087020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.087020 (E_RNA)
where:
Base-Base interactions energy: -947.218
where: short stacking energy: -389.106
Base-Backbone interact. energy: -1.714
local terms energy: -445.154959
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -107.631
flat angles C4'-P-C4' energy: -99.806
flat angles P-C4'-P energy: -57.263
tors. eta vs tors. theta energy: -89.176
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: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1257.577016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.577016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.577016 (E_RNA)
where:
Base-Base interactions energy: -859.162
where: short stacking energy: -383.249
Base-Backbone interact. energy: -1.587
local terms energy: -396.828244
where:
bonds (distance) C4'-P energy: -71.362
bonds (distance) P-C4' energy: -84.567
flat angles C4'-P-C4' energy: -97.171
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -81.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -770.789062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.789062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.789062 (E_RNA)
where:
Base-Base interactions energy: -423.185
where: short stacking energy: -236.115
Base-Backbone interact. energy: -2.628
local terms energy: -344.976619
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -80.560
flat angles C4'-P-C4' energy: -82.196
flat angles P-C4'-P energy: -47.267
tors. eta vs tors. theta energy: -40.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -551.714375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.714375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.714375 (E_RNA)
where:
Base-Base interactions energy: -276.795
where: short stacking energy: -168.990
Base-Backbone interact. energy: 1.129
local terms energy: -276.048134
where:
bonds (distance) C4'-P energy: -75.904
bonds (distance) P-C4' energy: -94.726
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: 3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1858.513443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.513443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.513443 (E_RNA)
where:
Base-Base interactions energy: -1263.336
where: short stacking energy: -573.767
Base-Backbone interact. energy: -2.516
local terms energy: -592.660983
where:
bonds (distance) C4'-P energy: -115.982
bonds (distance) P-C4' energy: -110.772
flat angles C4'-P-C4' energy: -115.185
flat angles P-C4'-P energy: -84.697
tors. eta vs tors. theta energy: -166.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1788.779980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.779980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.779980 (E_RNA)
where:
Base-Base interactions energy: -1236.910
where: short stacking energy: -536.414
Base-Backbone interact. energy: -4.232
local terms energy: -547.637521
where:
bonds (distance) C4'-P energy: -103.339
bonds (distance) P-C4' energy: -96.494
flat angles C4'-P-C4' energy: -114.011
flat angles P-C4'-P energy: -78.243
tors. eta vs tors. theta energy: -155.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1712.209960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.209960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.209960 (E_RNA)
where:
Base-Base interactions energy: -1153.881
where: short stacking energy: -523.050
Base-Backbone interact. energy: -2.665
local terms energy: -555.664212
where:
bonds (distance) C4'-P energy: -92.374
bonds (distance) P-C4' energy: -96.976
flat angles C4'-P-C4' energy: -125.904
flat angles P-C4'-P energy: -84.584
tors. eta vs tors. theta energy: -155.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1681.301677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.301677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.301677 (E_RNA)
where:
Base-Base interactions energy: -1137.071
where: short stacking energy: -510.468
Base-Backbone interact. energy: -1.183
local terms energy: -543.048252
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -88.896
flat angles C4'-P-C4' energy: -119.327
flat angles P-C4'-P energy: -80.565
tors. eta vs tors. theta energy: -159.893
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: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1575.424083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.424083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.424083 (E_RNA)
where:
Base-Base interactions energy: -1068.558
where: short stacking energy: -482.983
Base-Backbone interact. energy: -1.283
local terms energy: -505.582994
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -104.636
flat angles P-C4'-P energy: -73.480
tors. eta vs tors. theta energy: -135.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1503.456554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.456554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.456554 (E_RNA)
where:
Base-Base interactions energy: -1031.363
where: short stacking energy: -442.136
Base-Backbone interact. energy: -0.987
local terms energy: -471.106792
where:
bonds (distance) C4'-P energy: -89.103
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -94.904
flat angles P-C4'-P energy: -74.737
tors. eta vs tors. theta energy: -118.074
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1339.689216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.689216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.689216 (E_RNA)
where:
Base-Base interactions energy: -891.818
where: short stacking energy: -348.969
Base-Backbone interact. energy: -0.039
local terms energy: -447.833162
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -97.668
flat angles C4'-P-C4' energy: -97.705
flat angles P-C4'-P energy: -67.249
tors. eta vs tors. theta energy: -92.905
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: 269
Temperature: 1.250000
Total energy: -1246.732730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.732730 (E_RNA)
where:
Base-Base interactions energy: -828.649
where: short stacking energy: -340.576
Base-Backbone interact. energy: -2.277
local terms energy: -415.806631
where:
bonds (distance) C4'-P energy: -70.572
bonds (distance) P-C4' energy: -95.183
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -66.110
tors. eta vs tors. theta energy: -72.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -749.838981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.838981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.838981 (E_RNA)
where:
Base-Base interactions energy: -428.017
where: short stacking energy: -212.608
Base-Backbone interact. energy: -0.869
local terms energy: -320.952564
where:
bonds (distance) C4'-P energy: -54.278
bonds (distance) P-C4' energy: -102.162
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -62.893
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -579.871692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.871692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.871692 (E_RNA)
where:
Base-Base interactions energy: -311.164
where: short stacking energy: -180.713
Base-Backbone interact. energy: -1.715
local terms energy: -266.992996
where:
bonds (distance) C4'-P energy: -83.176
bonds (distance) P-C4' energy: -65.888
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1867.518636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.518636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.518636 (E_RNA)
where:
Base-Base interactions energy: -1266.657
where: short stacking energy: -584.487
Base-Backbone interact. energy: -2.888
local terms energy: -597.974002
where:
bonds (distance) C4'-P energy: -106.110
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -125.255
flat angles P-C4'-P energy: -76.939
tors. eta vs tors. theta energy: -174.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1828.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.019877 (E_RNA)
where:
Base-Base interactions energy: -1256.187
where: short stacking energy: -542.575
Base-Backbone interact. energy: -1.616
local terms energy: -570.216910
where:
bonds (distance) C4'-P energy: -92.780
bonds (distance) P-C4' energy: -116.153
flat angles C4'-P-C4' energy: -120.842
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -152.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1736.096919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.096919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.096919 (E_RNA)
where:
Base-Base interactions energy: -1183.856
where: short stacking energy: -523.457
Base-Backbone interact. energy: -2.016
local terms energy: -550.224527
where:
bonds (distance) C4'-P energy: -95.472
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -106.801
flat angles P-C4'-P energy: -78.122
tors. eta vs tors. theta energy: -160.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1710.822848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.822848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.822848 (E_RNA)
where:
Base-Base interactions energy: -1166.687
where: short stacking energy: -524.402
Base-Backbone interact. energy: -2.857
local terms energy: -541.279448
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -100.584
flat angles C4'-P-C4' energy: -125.748
flat angles P-C4'-P energy: -72.084
tors. eta vs tors. theta energy: -151.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1558.660295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.660295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.660295 (E_RNA)
where:
Base-Base interactions energy: -1060.450
where: short stacking energy: -456.327
Base-Backbone interact. energy: -1.321
local terms energy: -496.889819
where:
bonds (distance) C4'-P energy: -101.935
bonds (distance) P-C4' energy: -100.600
flat angles C4'-P-C4' energy: -101.187
flat angles P-C4'-P energy: -71.396
tors. eta vs tors. theta energy: -121.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1536.770823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.770823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.770823 (E_RNA)
where:
Base-Base interactions energy: -1073.512
where: short stacking energy: -459.145
Base-Backbone interact. energy: 5.221
local terms energy: -468.479989
where:
bonds (distance) C4'-P energy: -90.989
bonds (distance) P-C4' energy: -83.009
flat angles C4'-P-C4' energy: -111.387
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -123.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1368.710537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.710537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.710537 (E_RNA)
where:
Base-Base interactions energy: -902.689
where: short stacking energy: -379.509
Base-Backbone interact. energy: -0.923
local terms energy: -465.099390
where:
bonds (distance) C4'-P energy: -86.471
bonds (distance) P-C4' energy: -95.654
flat angles C4'-P-C4' energy: -118.640
flat angles P-C4'-P energy: -72.093
tors. eta vs tors. theta energy: -92.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1262.356450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.356450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.356450 (E_RNA)
where:
Base-Base interactions energy: -833.083
where: short stacking energy: -339.894
Base-Backbone interact. energy: 1.842
local terms energy: -431.114730
where:
bonds (distance) C4'-P energy: -87.452
bonds (distance) P-C4' energy: -92.598
flat angles C4'-P-C4' energy: -102.408
flat angles P-C4'-P energy: -60.442
tors. eta vs tors. theta energy: -88.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -773.218782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.218782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.218782 (E_RNA)
where:
Base-Base interactions energy: -442.102
where: short stacking energy: -211.002
Base-Backbone interact. energy: 0.353
local terms energy: -331.469732
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -83.385
flat angles P-C4'-P energy: -43.617
tors. eta vs tors. theta energy: -33.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -572.784963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.784963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.784963 (E_RNA)
where:
Base-Base interactions energy: -267.026
where: short stacking energy: -149.496
Base-Backbone interact. energy: -1.599
local terms energy: -304.160609
where:
bonds (distance) C4'-P energy: -90.083
bonds (distance) P-C4' energy: -96.396
flat angles C4'-P-C4' energy: -90.480
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: 15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1849.313700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.313700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.313700 (E_RNA)
where:
Base-Base interactions energy: -1264.067
where: short stacking energy: -554.407
Base-Backbone interact. energy: -1.754
local terms energy: -583.492845
where:
bonds (distance) C4'-P energy: -109.732
bonds (distance) P-C4' energy: -101.048
flat angles C4'-P-C4' energy: -116.410
flat angles P-C4'-P energy: -88.164
tors. eta vs tors. theta energy: -168.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1839.339936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.339936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.339936 (E_RNA)
where:
Base-Base interactions energy: -1253.306
where: short stacking energy: -557.755
Base-Backbone interact. energy: -3.193
local terms energy: -582.840940
where:
bonds (distance) C4'-P energy: -107.211
bonds (distance) P-C4' energy: -96.070
flat angles C4'-P-C4' energy: -129.189
flat angles P-C4'-P energy: -85.401
tors. eta vs tors. theta energy: -164.970
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1741.696287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.696287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.696287 (E_RNA)
where:
Base-Base interactions energy: -1172.309
where: short stacking energy: -517.751
Base-Backbone interact. energy: -2.000
local terms energy: -567.387327
where:
bonds (distance) C4'-P energy: -108.456
bonds (distance) P-C4' energy: -108.462
flat angles C4'-P-C4' energy: -110.794
flat angles P-C4'-P energy: -83.243
tors. eta vs tors. theta energy: -156.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1677.713316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.713316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.713316 (E_RNA)
where:
Base-Base interactions energy: -1136.044
where: short stacking energy: -498.065
Base-Backbone interact. energy: -0.285
local terms energy: -541.384334
where:
bonds (distance) C4'-P energy: -101.623
bonds (distance) P-C4' energy: -109.008
flat angles C4'-P-C4' energy: -112.058
flat angles P-C4'-P energy: -65.880
tors. eta vs tors. theta energy: -152.815
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: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1606.237472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.237472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.237472 (E_RNA)
where:
Base-Base interactions energy: -1079.540
where: short stacking energy: -465.841
Base-Backbone interact. energy: -0.221
local terms energy: -526.475596
where:
bonds (distance) C4'-P energy: -85.055
bonds (distance) P-C4' energy: -113.523
flat angles C4'-P-C4' energy: -107.665
flat angles P-C4'-P energy: -81.077
tors. eta vs tors. theta energy: -139.155
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: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1509.534510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.534510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.534510 (E_RNA)
where:
Base-Base interactions energy: -1025.000
where: short stacking energy: -439.674
Base-Backbone interact. energy: 0.184
local terms energy: -484.718556
where:
bonds (distance) C4'-P energy: -98.332
bonds (distance) P-C4' energy: -99.222
flat angles C4'-P-C4' energy: -98.099
flat angles P-C4'-P energy: -63.732
tors. eta vs tors. theta energy: -125.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1331.397474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.397474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.397474 (E_RNA)
where:
Base-Base interactions energy: -901.535
where: short stacking energy: -349.125
Base-Backbone interact. energy: 0.491
local terms energy: -430.353005
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -95.044
flat angles P-C4'-P energy: -68.178
tors. eta vs tors. theta energy: -84.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1210.103340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.103340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.103340 (E_RNA)
where:
Base-Base interactions energy: -776.918
where: short stacking energy: -333.423
Base-Backbone interact. energy: 2.846
local terms energy: -436.031817
where:
bonds (distance) C4'-P energy: -88.250
bonds (distance) P-C4' energy: -101.439
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -65.458
tors. eta vs tors. theta energy: -84.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -794.033212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.033212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.033212 (E_RNA)
where:
Base-Base interactions energy: -452.403
where: short stacking energy: -246.190
Base-Backbone interact. energy: 3.660
local terms energy: -345.289416
where:
bonds (distance) C4'-P energy: -83.706
bonds (distance) P-C4' energy: -90.708
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -63.058
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -577.551024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.551024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.551024 (E_RNA)
where:
Base-Base interactions energy: -293.495
where: short stacking energy: -150.335
Base-Backbone interact. energy: -4.604
local terms energy: -279.452467
where:
bonds (distance) C4'-P energy: -71.880
bonds (distance) P-C4' energy: -92.902
flat angles C4'-P-C4' energy: -69.240
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: 1.302
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: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1865.253518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.253518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.253518 (E_RNA)
where:
Base-Base interactions energy: -1259.368
where: short stacking energy: -566.289
Base-Backbone interact. energy: -1.900
local terms energy: -603.985168
where:
bonds (distance) C4'-P energy: -113.901
bonds (distance) P-C4' energy: -115.596
flat angles C4'-P-C4' energy: -124.317
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -166.775
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: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1809.353442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.353442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.353442 (E_RNA)
where:
Base-Base interactions energy: -1234.281
where: short stacking energy: -518.498
Base-Backbone interact. energy: -2.118
local terms energy: -572.953843
where:
bonds (distance) C4'-P energy: -110.868
bonds (distance) P-C4' energy: -106.013
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -156.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1729.038343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.038343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.038343 (E_RNA)
where:
Base-Base interactions energy: -1158.435
where: short stacking energy: -543.604
Base-Backbone interact. energy: -0.399
local terms energy: -570.204501
where:
bonds (distance) C4'-P energy: -103.796
bonds (distance) P-C4' energy: -103.569
flat angles C4'-P-C4' energy: -125.957
flat angles P-C4'-P energy: -74.585
tors. eta vs tors. theta energy: -162.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1639.780476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.780476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.780476 (E_RNA)
where:
Base-Base interactions energy: -1102.933
where: short stacking energy: -477.609
Base-Backbone interact. energy: -2.217
local terms energy: -534.630003
where:
bonds (distance) C4'-P energy: -92.969
bonds (distance) P-C4' energy: -106.110
flat angles C4'-P-C4' energy: -116.966
flat angles P-C4'-P energy: -83.982
tors. eta vs tors. theta energy: -134.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1580.930741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.930741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.930741 (E_RNA)
where:
Base-Base interactions energy: -1079.947
where: short stacking energy: -449.946
Base-Backbone interact. energy: 6.448
local terms energy: -507.432104
where:
bonds (distance) C4'-P energy: -82.398
bonds (distance) P-C4' energy: -102.179
flat angles C4'-P-C4' energy: -110.877
flat angles P-C4'-P energy: -79.017
tors. eta vs tors. theta energy: -132.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1462.723529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.723529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.723529 (E_RNA)
where:
Base-Base interactions energy: -990.575
where: short stacking energy: -427.349
Base-Backbone interact. energy: -1.406
local terms energy: -470.743355
where:
bonds (distance) C4'-P energy: -86.607
bonds (distance) P-C4' energy: -87.815
flat angles C4'-P-C4' energy: -95.136
flat angles P-C4'-P energy: -73.603
tors. eta vs tors. theta energy: -127.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1302.950109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.950109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.950109 (E_RNA)
where:
Base-Base interactions energy: -857.614
where: short stacking energy: -382.530
Base-Backbone interact. energy: -2.802
local terms energy: -442.534485
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -106.999
flat angles C4'-P-C4' energy: -91.620
flat angles P-C4'-P energy: -62.523
tors. eta vs tors. theta energy: -97.032
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1212.948449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.948449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.948449 (E_RNA)
where:
Base-Base interactions energy: -808.383
where: short stacking energy: -358.099
Base-Backbone interact. energy: -2.230
local terms energy: -402.334908
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -74.127
flat angles C4'-P-C4' energy: -87.503
flat angles P-C4'-P energy: -66.511
tors. eta vs tors. theta energy: -85.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -810.239202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.239202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.239202 (E_RNA)
where:
Base-Base interactions energy: -459.557
where: short stacking energy: -205.770
Base-Backbone interact. energy: -1.307
local terms energy: -349.375736
where:
bonds (distance) C4'-P energy: -83.885
bonds (distance) P-C4' energy: -109.060
flat angles C4'-P-C4' energy: -84.762
flat angles P-C4'-P energy: -55.880
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -608.173734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.173734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.173734 (E_RNA)
where:
Base-Base interactions energy: -311.300
where: short stacking energy: -180.540
Base-Backbone interact. energy: -1.349
local terms energy: -295.524796
where:
bonds (distance) C4'-P energy: -94.639
bonds (distance) P-C4' energy: -95.820
flat angles C4'-P-C4' energy: -71.780
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: 8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1847.544889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.544889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.544889 (E_RNA)
where:
Base-Base interactions energy: -1237.334
where: short stacking energy: -578.288
Base-Backbone interact. energy: -2.630
local terms energy: -607.580768
where:
bonds (distance) C4'-P energy: -110.347
bonds (distance) P-C4' energy: -112.813
flat angles C4'-P-C4' energy: -125.491
flat angles P-C4'-P energy: -85.962
tors. eta vs tors. theta energy: -172.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1832.481454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.481454 (E_RNA)
where:
Base-Base interactions energy: -1273.434
where: short stacking energy: -545.675
Base-Backbone interact. energy: 2.165
local terms energy: -561.212382
where:
bonds (distance) C4'-P energy: -111.709
bonds (distance) P-C4' energy: -114.892
flat angles C4'-P-C4' energy: -117.727
flat angles P-C4'-P energy: -77.369
tors. eta vs tors. theta energy: -139.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1740.642812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.642812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.642812 (E_RNA)
where:
Base-Base interactions energy: -1155.418
where: short stacking energy: -515.426
Base-Backbone interact. energy: -0.292
local terms energy: -584.932434
where:
bonds (distance) C4'-P energy: -98.194
bonds (distance) P-C4' energy: -112.495
flat angles C4'-P-C4' energy: -133.390
flat angles P-C4'-P energy: -85.918
tors. eta vs tors. theta energy: -154.935
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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1696.259298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.259298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.259298 (E_RNA)
where:
Base-Base interactions energy: -1145.350
where: short stacking energy: -526.431
Base-Backbone interact. energy: -2.182
local terms energy: -548.726697
where:
bonds (distance) C4'-P energy: -100.581
bonds (distance) P-C4' energy: -115.233
flat angles C4'-P-C4' energy: -115.827
flat angles P-C4'-P energy: -64.049
tors. eta vs tors. theta energy: -153.037
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: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1603.946894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.946894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.946894 (E_RNA)
where:
Base-Base interactions energy: -1101.436
where: short stacking energy: -481.956
Base-Backbone interact. energy: -0.713
local terms energy: -501.797977
where:
bonds (distance) C4'-P energy: -91.602
bonds (distance) P-C4' energy: -103.660
flat angles C4'-P-C4' energy: -110.342
flat angles P-C4'-P energy: -69.539
tors. eta vs tors. theta energy: -126.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1502.528518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.528518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.528518 (E_RNA)
where:
Base-Base interactions energy: -1047.238
where: short stacking energy: -451.883
Base-Backbone interact. energy: 1.492
local terms energy: -456.782887
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -96.752
flat angles C4'-P-C4' energy: -104.113
flat angles P-C4'-P energy: -59.061
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1297.894775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.894775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.894775 (E_RNA)
where:
Base-Base interactions energy: -848.782
where: short stacking energy: -368.029
Base-Backbone interact. energy: 3.205
local terms energy: -452.317637
where:
bonds (distance) C4'-P energy: -92.623
bonds (distance) P-C4' energy: -95.861
flat angles C4'-P-C4' energy: -102.160
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: -93.631
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: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1219.375221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.375221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.375221 (E_RNA)
where:
Base-Base interactions energy: -831.143
where: short stacking energy: -346.043
Base-Backbone interact. energy: -1.420
local terms energy: -386.812149
where:
bonds (distance) C4'-P energy: -85.013
bonds (distance) P-C4' energy: -86.700
flat angles C4'-P-C4' energy: -80.416
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -77.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -810.805672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.805672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.805672 (E_RNA)
where:
Base-Base interactions energy: -472.714
where: short stacking energy: -196.321
Base-Backbone interact. energy: -2.304
local terms energy: -335.787057
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -89.684
flat angles C4'-P-C4' energy: -77.402
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -613.507931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.507931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.507931 (E_RNA)
where:
Base-Base interactions energy: -303.416
where: short stacking energy: -168.319
Base-Backbone interact. energy: 1.204
local terms energy: -311.295323
where:
bonds (distance) C4'-P energy: -86.298
bonds (distance) P-C4' energy: -98.469
flat angles C4'-P-C4' energy: -86.932
flat angles P-C4'-P energy: -38.449
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1843.785308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.785308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.785308 (E_RNA)
where:
Base-Base interactions energy: -1247.688
where: short stacking energy: -590.806
Base-Backbone interact. energy: -0.743
local terms energy: -595.354488
where:
bonds (distance) C4'-P energy: -117.732
bonds (distance) P-C4' energy: -89.852
flat angles C4'-P-C4' energy: -128.363
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -169.679
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1826.472625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.472625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.472625 (E_RNA)
where:
Base-Base interactions energy: -1254.024
where: short stacking energy: -542.498
Base-Backbone interact. energy: -1.303
local terms energy: -571.145432
where:
bonds (distance) C4'-P energy: -94.015
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -125.841
flat angles P-C4'-P energy: -87.724
tors. eta vs tors. theta energy: -165.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1702.078072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.078072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.078072 (E_RNA)
where:
Base-Base interactions energy: -1162.596
where: short stacking energy: -513.926
Base-Backbone interact. energy: 1.846
local terms energy: -541.328142
where:
bonds (distance) C4'-P energy: -90.131
bonds (distance) P-C4' energy: -120.356
flat angles C4'-P-C4' energy: -119.673
flat angles P-C4'-P energy: -66.493
tors. eta vs tors. theta energy: -144.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1673.487227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.487227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.487227 (E_RNA)
where:
Base-Base interactions energy: -1149.065
where: short stacking energy: -472.815
Base-Backbone interact. energy: -0.312
local terms energy: -524.109596
where:
bonds (distance) C4'-P energy: -88.643
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -113.220
flat angles P-C4'-P energy: -76.146
tors. eta vs tors. theta energy: -136.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1533.377030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.377030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.377030 (E_RNA)
where:
Base-Base interactions energy: -1040.055
where: short stacking energy: -453.902
Base-Backbone interact. energy: 4.018
local terms energy: -497.340472
where:
bonds (distance) C4'-P energy: -109.291
bonds (distance) P-C4' energy: -82.629
flat angles C4'-P-C4' energy: -112.681
flat angles P-C4'-P energy: -77.608
tors. eta vs tors. theta energy: -115.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1535.425745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.425745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.425745 (E_RNA)
where:
Base-Base interactions energy: -1025.075
where: short stacking energy: -441.840
Base-Backbone interact. energy: -1.516
local terms energy: -508.835274
where:
bonds (distance) C4'-P energy: -96.232
bonds (distance) P-C4' energy: -96.351
flat angles C4'-P-C4' energy: -115.657
flat angles P-C4'-P energy: -67.573
tors. eta vs tors. theta energy: -133.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1363.014461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.014461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.014461 (E_RNA)
where:
Base-Base interactions energy: -922.215
where: short stacking energy: -410.140
Base-Backbone interact. energy: 2.515
local terms energy: -443.314428
where:
bonds (distance) C4'-P energy: -71.745
bonds (distance) P-C4' energy: -96.512
flat angles C4'-P-C4' energy: -106.663
flat angles P-C4'-P energy: -61.731
tors. eta vs tors. theta energy: -106.664
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: 274
Temperature: 1.250000
Total energy: -1238.525925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.525925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.525925 (E_RNA)
where:
Base-Base interactions energy: -828.641
where: short stacking energy: -348.378
Base-Backbone interact. energy: -3.064
local terms energy: -406.820564
where:
bonds (distance) C4'-P energy: -87.470
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -86.554
flat angles P-C4'-P energy: -56.683
tors. eta vs tors. theta energy: -85.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -822.170266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.170266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.170266 (E_RNA)
where:
Base-Base interactions energy: -487.533
where: short stacking energy: -247.433
Base-Backbone interact. energy: 0.735
local terms energy: -335.372025
where:
bonds (distance) C4'-P energy: -90.118
bonds (distance) P-C4' energy: -95.062
flat angles C4'-P-C4' energy: -88.597
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -565.166395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.166395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.166395 (E_RNA)
where:
Base-Base interactions energy: -277.700
where: short stacking energy: -159.545
Base-Backbone interact. energy: 0.710
local terms energy: -288.176976
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: 3.189
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1834.362993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.362993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.362993 (E_RNA)
where:
Base-Base interactions energy: -1224.530
where: short stacking energy: -563.112
Base-Backbone interact. energy: -0.171
local terms energy: -609.662142
where:
bonds (distance) C4'-P energy: -117.647
bonds (distance) P-C4' energy: -118.760
flat angles C4'-P-C4' energy: -126.139
flat angles P-C4'-P energy: -84.830
tors. eta vs tors. theta energy: -162.286
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1820.521873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.521873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.521873 (E_RNA)
where:
Base-Base interactions energy: -1245.906
where: short stacking energy: -541.474
Base-Backbone interact. energy: -1.641
local terms energy: -572.974421
where:
bonds (distance) C4'-P energy: -109.776
bonds (distance) P-C4' energy: -103.478
flat angles C4'-P-C4' energy: -121.413
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -162.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1735.836287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.836287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.836287 (E_RNA)
where:
Base-Base interactions energy: -1182.573
where: short stacking energy: -530.924
Base-Backbone interact. energy: -3.896
local terms energy: -549.367870
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -117.551
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -152.476
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: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1694.084863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.084863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.084863 (E_RNA)
where:
Base-Base interactions energy: -1149.753
where: short stacking energy: -506.112
Base-Backbone interact. energy: -0.561
local terms energy: -543.771517
where:
bonds (distance) C4'-P energy: -97.020
bonds (distance) P-C4' energy: -94.950
flat angles C4'-P-C4' energy: -124.296
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -156.001
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: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1533.509921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.509921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.509921 (E_RNA)
where:
Base-Base interactions energy: -1069.380
where: short stacking energy: -466.939
Base-Backbone interact. energy: 4.238
local terms energy: -468.367480
where:
bonds (distance) C4'-P energy: -95.279
bonds (distance) P-C4' energy: -82.186
flat angles C4'-P-C4' energy: -108.944
flat angles P-C4'-P energy: -68.478
tors. eta vs tors. theta energy: -113.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1543.691246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.691246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.691246 (E_RNA)
where:
Base-Base interactions energy: -1050.353
where: short stacking energy: -467.177
Base-Backbone interact. energy: -0.389
local terms energy: -492.949095
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -87.042
flat angles C4'-P-C4' energy: -115.990
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -133.771
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: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1377.703518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.703518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.703518 (E_RNA)
where:
Base-Base interactions energy: -931.850
where: short stacking energy: -397.778
Base-Backbone interact. energy: -0.564
local terms energy: -445.290173
where:
bonds (distance) C4'-P energy: -87.472
bonds (distance) P-C4' energy: -100.059
flat angles C4'-P-C4' energy: -102.918
flat angles P-C4'-P energy: -59.043
tors. eta vs tors. theta energy: -95.798
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: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1191.288414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.288414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.288414 (E_RNA)
where:
Base-Base interactions energy: -796.481
where: short stacking energy: -343.171
Base-Backbone interact. energy: -2.422
local terms energy: -392.385664
where:
bonds (distance) C4'-P energy: -73.594
bonds (distance) P-C4' energy: -97.997
flat angles C4'-P-C4' energy: -93.143
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -76.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -767.554784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.554784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.554784 (E_RNA)
where:
Base-Base interactions energy: -434.677
where: short stacking energy: -216.086
Base-Backbone interact. energy: 4.262
local terms energy: -337.139534
where:
bonds (distance) C4'-P energy: -79.676
bonds (distance) P-C4' energy: -93.230
flat angles C4'-P-C4' energy: -78.656
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -577.812945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.812945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.812945 (E_RNA)
where:
Base-Base interactions energy: -294.479
where: short stacking energy: -164.063
Base-Backbone interact. energy: 4.726
local terms energy: -288.060096
where:
bonds (distance) C4'-P energy: -82.433
bonds (distance) P-C4' energy: -89.946
flat angles C4'-P-C4' energy: -66.737
flat angles P-C4'-P energy: -55.044
tors. eta vs tors. theta energy: 6.101
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1876.517692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.517692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.517692 (E_RNA)
where:
Base-Base interactions energy: -1288.053
where: short stacking energy: -581.976
Base-Backbone interact. energy: -3.856
local terms energy: -584.608550
where:
bonds (distance) C4'-P energy: -87.452
bonds (distance) P-C4' energy: -119.033
flat angles C4'-P-C4' energy: -126.418
flat angles P-C4'-P energy: -87.743
tors. eta vs tors. theta energy: -163.962
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1817.579849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.579849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.579849 (E_RNA)
where:
Base-Base interactions energy: -1280.243
where: short stacking energy: -541.933
Base-Backbone interact. energy: -0.507
local terms energy: -536.829857
where:
bonds (distance) C4'-P energy: -97.431
bonds (distance) P-C4' energy: -97.155
flat angles C4'-P-C4' energy: -113.170
flat angles P-C4'-P energy: -72.477
tors. eta vs tors. theta energy: -156.597
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1765.524511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.524511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.524511 (E_RNA)
where:
Base-Base interactions energy: -1203.823
where: short stacking energy: -532.142
Base-Backbone interact. energy: 1.207
local terms energy: -562.908636
where:
bonds (distance) C4'-P energy: -105.469
bonds (distance) P-C4' energy: -101.551
flat angles C4'-P-C4' energy: -120.448
flat angles P-C4'-P energy: -84.759
tors. eta vs tors. theta energy: -150.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1746.564665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.564665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.564665 (E_RNA)
where:
Base-Base interactions energy: -1200.417
where: short stacking energy: -521.021
Base-Backbone interact. energy: 0.861
local terms energy: -547.008517
where:
bonds (distance) C4'-P energy: -93.212
bonds (distance) P-C4' energy: -97.160
flat angles C4'-P-C4' energy: -121.871
flat angles P-C4'-P energy: -78.770
tors. eta vs tors. theta energy: -155.996
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: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1571.425863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.425863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.425863 (E_RNA)
where:
Base-Base interactions energy: -1061.894
where: short stacking energy: -457.533
Base-Backbone interact. energy: -2.819
local terms energy: -506.712556
where:
bonds (distance) C4'-P energy: -104.983
bonds (distance) P-C4' energy: -95.490
flat angles C4'-P-C4' energy: -112.974
flat angles P-C4'-P energy: -69.168
tors. eta vs tors. theta energy: -124.098
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: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1486.616459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.616459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.616459 (E_RNA)
where:
Base-Base interactions energy: -1009.132
where: short stacking energy: -421.543
Base-Backbone interact. energy: -1.718
local terms energy: -475.766125
where:
bonds (distance) C4'-P energy: -102.163
bonds (distance) P-C4' energy: -84.639
flat angles C4'-P-C4' energy: -101.506
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -114.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1289.493325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.493325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.493325 (E_RNA)
where:
Base-Base interactions energy: -840.473
where: short stacking energy: -375.040
Base-Backbone interact. energy: -0.822
local terms energy: -448.198454
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -99.456
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -99.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1289.256068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.256068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.256068 (E_RNA)
where:
Base-Base interactions energy: -852.705
where: short stacking energy: -364.680
Base-Backbone interact. energy: -0.817
local terms energy: -435.734767
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -93.449
flat angles C4'-P-C4' energy: -101.383
flat angles P-C4'-P energy: -50.438
tors. eta vs tors. theta energy: -92.581
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -827.188051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.188051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.188051 (E_RNA)
where:
Base-Base interactions energy: -477.613
where: short stacking energy: -247.040
Base-Backbone interact. energy: -0.281
local terms energy: -349.293843
where:
bonds (distance) C4'-P energy: -79.621
bonds (distance) P-C4' energy: -103.292
flat angles C4'-P-C4' energy: -69.224
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -38.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -594.673361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.673361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.673361 (E_RNA)
where:
Base-Base interactions energy: -304.348
where: short stacking energy: -175.332
Base-Backbone interact. energy: -0.236
local terms energy: -290.089846
where:
bonds (distance) C4'-P energy: -86.311
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: 8.765
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1886.437747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.437747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.437747 (E_RNA)
where:
Base-Base interactions energy: -1276.196
where: short stacking energy: -578.841
Base-Backbone interact. energy: -0.876
local terms energy: -609.365368
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -118.880
flat angles C4'-P-C4' energy: -121.498
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -176.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1836.209345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.209345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.209345 (E_RNA)
where:
Base-Base interactions energy: -1261.541
where: short stacking energy: -565.914
Base-Backbone interact. energy: -3.165
local terms energy: -571.502851
where:
bonds (distance) C4'-P energy: -104.125
bonds (distance) P-C4' energy: -93.968
flat angles C4'-P-C4' energy: -115.573
flat angles P-C4'-P energy: -92.935
tors. eta vs tors. theta energy: -164.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1738.828469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.828469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.828469 (E_RNA)
where:
Base-Base interactions energy: -1179.822
where: short stacking energy: -528.612
Base-Backbone interact. energy: -2.943
local terms energy: -556.063281
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -99.566
flat angles C4'-P-C4' energy: -113.391
flat angles P-C4'-P energy: -81.992
tors. eta vs tors. theta energy: -156.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1725.617229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.617229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.617229 (E_RNA)
where:
Base-Base interactions energy: -1212.067
where: short stacking energy: -512.472
Base-Backbone interact. energy: -0.896
local terms energy: -512.653499
where:
bonds (distance) C4'-P energy: -89.248
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -110.391
flat angles P-C4'-P energy: -67.926
tors. eta vs tors. theta energy: -148.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1582.054054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.054054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.054054 (E_RNA)
where:
Base-Base interactions energy: -1113.753
where: short stacking energy: -458.885
Base-Backbone interact. energy: 0.985
local terms energy: -469.285914
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -92.743
flat angles C4'-P-C4' energy: -100.396
flat angles P-C4'-P energy: -69.386
tors. eta vs tors. theta energy: -113.254
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1461.236604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.236604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.236604 (E_RNA)
where:
Base-Base interactions energy: -984.321
where: short stacking energy: -418.169
Base-Backbone interact. energy: 2.686
local terms energy: -479.602423
where:
bonds (distance) C4'-P energy: -98.049
bonds (distance) P-C4' energy: -100.053
flat angles C4'-P-C4' energy: -107.047
flat angles P-C4'-P energy: -60.796
tors. eta vs tors. theta energy: -113.658
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: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1319.920891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.920891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.920891 (E_RNA)
where:
Base-Base interactions energy: -905.305
where: short stacking energy: -382.208
Base-Backbone interact. energy: 2.066
local terms energy: -416.682385
where:
bonds (distance) C4'-P energy: -97.833
bonds (distance) P-C4' energy: -72.960
flat angles C4'-P-C4' energy: -112.084
flat angles P-C4'-P energy: -53.961
tors. eta vs tors. theta energy: -79.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1254.678031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.678031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.678031 (E_RNA)
where:
Base-Base interactions energy: -828.637
where: short stacking energy: -351.266
Base-Backbone interact. energy: 3.268
local terms energy: -429.308773
where:
bonds (distance) C4'-P energy: -101.084
bonds (distance) P-C4' energy: -103.614
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -63.045
tors. eta vs tors. theta energy: -76.474
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: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -895.241583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.241583 (E_RNA)
where:
Base-Base interactions energy: -523.830
where: short stacking energy: -271.242
Base-Backbone interact. energy: 1.199
local terms energy: -372.611209
where:
bonds (distance) C4'-P energy: -73.151
bonds (distance) P-C4' energy: -94.888
flat angles C4'-P-C4' energy: -95.923
flat angles P-C4'-P energy: -54.275
tors. eta vs tors. theta energy: -54.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -613.712853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.712853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.712853 (E_RNA)
where:
Base-Base interactions energy: -312.685
where: short stacking energy: -183.899
Base-Backbone interact. energy: 0.792
local terms energy: -301.820302
where:
bonds (distance) C4'-P energy: -83.252
bonds (distance) P-C4' energy: -96.889
flat angles C4'-P-C4' energy: -76.081
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1859.660057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.660057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.660057 (E_RNA)
where:
Base-Base interactions energy: -1262.731
where: short stacking energy: -552.552
Base-Backbone interact. energy: -2.290
local terms energy: -594.639867
where:
bonds (distance) C4'-P energy: -114.185
bonds (distance) P-C4' energy: -108.222
flat angles C4'-P-C4' energy: -120.821
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -169.859
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: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1851.659599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.659599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.659599 (E_RNA)
where:
Base-Base interactions energy: -1262.344
where: short stacking energy: -552.967
Base-Backbone interact. energy: -1.557
local terms energy: -587.758648
where:
bonds (distance) C4'-P energy: -110.307
bonds (distance) P-C4' energy: -104.159
flat angles C4'-P-C4' energy: -121.211
flat angles P-C4'-P energy: -90.878
tors. eta vs tors. theta energy: -161.203
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: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1791.810699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.810699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.810699 (E_RNA)
where:
Base-Base interactions energy: -1209.105
where: short stacking energy: -585.098
Base-Backbone interact. energy: -2.997
local terms energy: -579.708581
where:
bonds (distance) C4'-P energy: -98.375
bonds (distance) P-C4' energy: -107.610
flat angles C4'-P-C4' energy: -117.391
flat angles P-C4'-P energy: -82.947
tors. eta vs tors. theta energy: -173.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1690.712276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.712276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.712276 (E_RNA)
where:
Base-Base interactions energy: -1149.426
where: short stacking energy: -518.224
Base-Backbone interact. energy: -0.958
local terms energy: -540.328243
where:
bonds (distance) C4'-P energy: -102.149
bonds (distance) P-C4' energy: -89.729
flat angles C4'-P-C4' energy: -124.679
flat angles P-C4'-P energy: -78.778
tors. eta vs tors. theta energy: -144.994
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1529.339874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.339874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.339874 (E_RNA)
where:
Base-Base interactions energy: -1034.566
where: short stacking energy: -459.058
Base-Backbone interact. energy: -2.998
local terms energy: -491.776317
where:
bonds (distance) C4'-P energy: -98.978
bonds (distance) P-C4' energy: -100.071
flat angles C4'-P-C4' energy: -104.599
flat angles P-C4'-P energy: -70.144
tors. eta vs tors. theta energy: -117.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1511.056104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.056104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.056104 (E_RNA)
where:
Base-Base interactions energy: -1026.662
where: short stacking energy: -429.518
Base-Backbone interact. energy: 0.149
local terms energy: -484.542424
where:
bonds (distance) C4'-P energy: -88.858
bonds (distance) P-C4' energy: -94.824
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -67.213
tors. eta vs tors. theta energy: -126.623
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1359.192273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.192273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.192273 (E_RNA)
where:
Base-Base interactions energy: -926.490
where: short stacking energy: -398.048
Base-Backbone interact. energy: 1.018
local terms energy: -433.720636
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -84.652
flat angles C4'-P-C4' energy: -104.148
flat angles P-C4'-P energy: -67.893
tors. eta vs tors. theta energy: -94.822
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: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1219.615979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.615979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.615979 (E_RNA)
where:
Base-Base interactions energy: -805.418
where: short stacking energy: -335.767
Base-Backbone interact. energy: 0.463
local terms energy: -414.661115
where:
bonds (distance) C4'-P energy: -75.864
bonds (distance) P-C4' energy: -106.248
flat angles C4'-P-C4' energy: -94.897
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -77.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -868.432203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.432203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.432203 (E_RNA)
where:
Base-Base interactions energy: -556.781
where: short stacking energy: -256.805
Base-Backbone interact. energy: 1.358
local terms energy: -313.009442
where:
bonds (distance) C4'-P energy: -92.289
bonds (distance) P-C4' energy: -70.161
flat angles C4'-P-C4' energy: -81.367
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -31.251
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -595.229539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.229539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.229539 (E_RNA)
where:
Base-Base interactions energy: -279.159
where: short stacking energy: -166.082
Base-Backbone interact. energy: 2.943
local terms energy: -319.013510
where:
bonds (distance) C4'-P energy: -89.139
bonds (distance) P-C4' energy: -90.929
flat angles C4'-P-C4' energy: -94.153
flat angles P-C4'-P energy: -50.790
tors. eta vs tors. theta energy: 5.998
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: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1897.456789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.456789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.456789 (E_RNA)
where:
Base-Base interactions energy: -1294.498
where: short stacking energy: -568.476
Base-Backbone interact. energy: 2.326
local terms energy: -605.284848
where:
bonds (distance) C4'-P energy: -97.341
bonds (distance) P-C4' energy: -111.829
flat angles C4'-P-C4' energy: -129.477
flat angles P-C4'-P energy: -92.568
tors. eta vs tors. theta energy: -174.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1859.469322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.469322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.469322 (E_RNA)
where:
Base-Base interactions energy: -1306.328
where: short stacking energy: -538.869
Base-Backbone interact. energy: -0.119
local terms energy: -553.021532
where:
bonds (distance) C4'-P energy: -103.500
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -123.497
flat angles P-C4'-P energy: -77.183
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1746.129706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.129706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.129706 (E_RNA)
where:
Base-Base interactions energy: -1189.948
where: short stacking energy: -546.363
Base-Backbone interact. energy: -0.810
local terms energy: -555.371817
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -106.957
flat angles C4'-P-C4' energy: -113.473
flat angles P-C4'-P energy: -78.271
tors. eta vs tors. theta energy: -151.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1676.305871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.305871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.305871 (E_RNA)
where:
Base-Base interactions energy: -1121.367
where: short stacking energy: -475.031
Base-Backbone interact. energy: -1.176
local terms energy: -553.762785
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -94.350
flat angles C4'-P-C4' energy: -112.795
flat angles P-C4'-P energy: -82.509
tors. eta vs tors. theta energy: -150.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1541.350748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.350748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.350748 (E_RNA)
where:
Base-Base interactions energy: -1064.592
where: short stacking energy: -457.852
Base-Backbone interact. energy: -1.569
local terms energy: -475.189108
where:
bonds (distance) C4'-P energy: -86.850
bonds (distance) P-C4' energy: -89.250
flat angles C4'-P-C4' energy: -101.828
flat angles P-C4'-P energy: -68.900
tors. eta vs tors. theta energy: -128.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1543.488103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.488103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.488103 (E_RNA)
where:
Base-Base interactions energy: -1014.778
where: short stacking energy: -459.052
Base-Backbone interact. energy: -1.198
local terms energy: -527.512032
where:
bonds (distance) C4'-P energy: -91.058
bonds (distance) P-C4' energy: -101.332
flat angles C4'-P-C4' energy: -119.985
flat angles P-C4'-P energy: -78.310
tors. eta vs tors. theta energy: -136.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1399.541253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.541253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.541253 (E_RNA)
where:
Base-Base interactions energy: -922.006
where: short stacking energy: -399.221
Base-Backbone interact. energy: -1.594
local terms energy: -475.941431
where:
bonds (distance) C4'-P energy: -91.317
bonds (distance) P-C4' energy: -113.032
flat angles C4'-P-C4' energy: -96.947
flat angles P-C4'-P energy: -74.758
tors. eta vs tors. theta energy: -99.887
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: 279
Temperature: 1.250000
Total energy: -1218.776391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.776391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.776391 (E_RNA)
where:
Base-Base interactions energy: -797.596
where: short stacking energy: -328.419
Base-Backbone interact. energy: 1.314
local terms energy: -422.494490
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -97.854
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -67.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -934.256551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.256551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.256551 (E_RNA)
where:
Base-Base interactions energy: -549.689
where: short stacking energy: -255.881
Base-Backbone interact. energy: -0.915
local terms energy: -383.651948
where:
bonds (distance) C4'-P energy: -90.307
bonds (distance) P-C4' energy: -106.712
flat angles C4'-P-C4' energy: -88.971
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -48.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -580.069074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.069074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.069074 (E_RNA)
where:
Base-Base interactions energy: -272.970
where: short stacking energy: -169.542
Base-Backbone interact. energy: 1.963
local terms energy: -309.062761
where:
bonds (distance) C4'-P energy: -86.127
bonds (distance) P-C4' energy: -103.996
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -40.822
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1891.451804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.451804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.451804 (E_RNA)
where:
Base-Base interactions energy: -1298.765
where: short stacking energy: -535.450
Base-Backbone interact. energy: -3.099
local terms energy: -589.587624
where:
bonds (distance) C4'-P energy: -114.777
bonds (distance) P-C4' energy: -112.091
flat angles C4'-P-C4' energy: -114.292
flat angles P-C4'-P energy: -88.773
tors. eta vs tors. theta energy: -159.656
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: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1844.648548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.648548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.648548 (E_RNA)
where:
Base-Base interactions energy: -1250.481
where: short stacking energy: -571.443
Base-Backbone interact. energy: -2.182
local terms energy: -591.986038
where:
bonds (distance) C4'-P energy: -101.539
bonds (distance) P-C4' energy: -112.103
flat angles C4'-P-C4' energy: -130.783
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -166.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1727.004557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.004557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.004557 (E_RNA)
where:
Base-Base interactions energy: -1165.662
where: short stacking energy: -537.345
Base-Backbone interact. energy: -0.552
local terms energy: -560.790491
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -110.954
flat angles C4'-P-C4' energy: -116.614
flat angles P-C4'-P energy: -77.021
tors. eta vs tors. theta energy: -166.624
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: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1703.457485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.457485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.457485 (E_RNA)
where:
Base-Base interactions energy: -1165.199
where: short stacking energy: -518.823
Base-Backbone interact. energy: -0.876
local terms energy: -537.382559
where:
bonds (distance) C4'-P energy: -106.165
bonds (distance) P-C4' energy: -110.918
flat angles C4'-P-C4' energy: -118.882
flat angles P-C4'-P energy: -54.313
tors. eta vs tors. theta energy: -147.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1511.416033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.416033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.416033 (E_RNA)
where:
Base-Base interactions energy: -1034.422
where: short stacking energy: -420.997
Base-Backbone interact. energy: 0.424
local terms energy: -477.417849
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -81.165
tors. eta vs tors. theta energy: -107.652
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1500.893506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.893506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.893506 (E_RNA)
where:
Base-Base interactions energy: -1001.333
where: short stacking energy: -447.579
Base-Backbone interact. energy: -1.234
local terms energy: -498.327128
where:
bonds (distance) C4'-P energy: -88.877
bonds (distance) P-C4' energy: -96.260
flat angles C4'-P-C4' energy: -110.149
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -130.004
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1370.320418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.320418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.320418 (E_RNA)
where:
Base-Base interactions energy: -897.402
where: short stacking energy: -412.762
Base-Backbone interact. energy: 0.751
local terms energy: -473.669514
where:
bonds (distance) C4'-P energy: -98.146
bonds (distance) P-C4' energy: -89.059
flat angles C4'-P-C4' energy: -99.172
flat angles P-C4'-P energy: -74.011
tors. eta vs tors. theta energy: -113.282
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: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1198.603106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.603106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.603106 (E_RNA)
where:
Base-Base interactions energy: -804.395
where: short stacking energy: -328.932
Base-Backbone interact. energy: -2.738
local terms energy: -391.469983
where:
bonds (distance) C4'-P energy: -91.244
bonds (distance) P-C4' energy: -81.304
flat angles C4'-P-C4' energy: -98.016
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -70.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -859.705024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.705024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.705024 (E_RNA)
where:
Base-Base interactions energy: -485.017
where: short stacking energy: -259.133
Base-Backbone interact. energy: -0.698
local terms energy: -373.989771
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -84.579
flat angles C4'-P-C4' energy: -92.920
flat angles P-C4'-P energy: -66.240
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -556.519157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.519157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.519157 (E_RNA)
where:
Base-Base interactions energy: -280.725
where: short stacking energy: -180.382
Base-Backbone interact. energy: -0.411
local terms energy: -275.382218
where:
bonds (distance) C4'-P energy: -89.580
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1855.407281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.407281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.407281 (E_RNA)
where:
Base-Base interactions energy: -1286.313
where: short stacking energy: -562.998
Base-Backbone interact. energy: -0.868
local terms energy: -568.226185
where:
bonds (distance) C4'-P energy: -107.939
bonds (distance) P-C4' energy: -105.827
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -153.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1803.504622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.504622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.504622 (E_RNA)
where:
Base-Base interactions energy: -1251.988
where: short stacking energy: -535.317
Base-Backbone interact. energy: -0.648
local terms energy: -550.868641
where:
bonds (distance) C4'-P energy: -93.695
bonds (distance) P-C4' energy: -105.610
flat angles C4'-P-C4' energy: -120.860
flat angles P-C4'-P energy: -79.832
tors. eta vs tors. theta energy: -150.872
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: 281
Temperature: 1.000000
Total energy: -1731.791272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.791272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.791272 (E_RNA)
where:
Base-Base interactions energy: -1147.642
where: short stacking energy: -521.968
Base-Backbone interact. energy: -2.992
local terms energy: -581.156862
where:
bonds (distance) C4'-P energy: -117.162
bonds (distance) P-C4' energy: -110.010
flat angles C4'-P-C4' energy: -111.853
flat angles P-C4'-P energy: -90.019
tors. eta vs tors. theta energy: -152.113
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1707.904270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.904270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.904270 (E_RNA)
where:
Base-Base interactions energy: -1157.763
where: short stacking energy: -516.222
Base-Backbone interact. energy: -0.367
local terms energy: -549.774315
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -97.685
flat angles C4'-P-C4' energy: -115.696
flat angles P-C4'-P energy: -75.854
tors. eta vs tors. theta energy: -159.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1518.170162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.170162 (E_RNA)
where:
Base-Base interactions energy: -1044.858
where: short stacking energy: -449.870
Base-Backbone interact. energy: -1.818
local terms energy: -471.493965
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -93.026
flat angles C4'-P-C4' energy: -104.170
flat angles P-C4'-P energy: -62.723
tors. eta vs tors. theta energy: -119.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1511.802963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.802963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.802963 (E_RNA)
where:
Base-Base interactions energy: -1028.287
where: short stacking energy: -428.929
Base-Backbone interact. energy: -0.788
local terms energy: -482.728073
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -105.240
flat angles C4'-P-C4' energy: -98.993
flat angles P-C4'-P energy: -70.503
tors. eta vs tors. theta energy: -121.534
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: 281
Temperature: 1.200000
Total energy: -1390.244305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.244305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.244305 (E_RNA)
where:
Base-Base interactions energy: -948.496
where: short stacking energy: -411.947
Base-Backbone interact. energy: 0.587
local terms energy: -442.335454
where:
bonds (distance) C4'-P energy: -103.895
bonds (distance) P-C4' energy: -89.120
flat angles C4'-P-C4' energy: -106.021
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -101.964
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: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1177.055150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.055150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.055150 (E_RNA)
where:
Base-Base interactions energy: -751.417
where: short stacking energy: -318.990
Base-Backbone interact. energy: -2.356
local terms energy: -423.282122
where:
bonds (distance) C4'-P energy: -90.140
bonds (distance) P-C4' energy: -107.166
flat angles C4'-P-C4' energy: -88.196
flat angles P-C4'-P energy: -70.105
tors. eta vs tors. theta energy: -67.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -825.374011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.374011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.374011 (E_RNA)
where:
Base-Base interactions energy: -460.786
where: short stacking energy: -231.238
Base-Backbone interact. energy: -0.820
local terms energy: -363.767966
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -104.822
flat angles C4'-P-C4' energy: -89.203
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -630.782470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.782470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.782470 (E_RNA)
where:
Base-Base interactions energy: -329.493
where: short stacking energy: -176.764
Base-Backbone interact. energy: -0.946
local terms energy: -300.343284
where:
bonds (distance) C4'-P energy: -73.336
bonds (distance) P-C4' energy: -96.019
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -13.938
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: 282
Temperature: 0.900000
Total energy: -1872.378437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.378437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.378437 (E_RNA)
where:
Base-Base interactions energy: -1271.101
where: short stacking energy: -573.702
Base-Backbone interact. energy: -1.747
local terms energy: -599.530234
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -119.447
flat angles C4'-P-C4' energy: -123.400
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -171.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1866.078819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.078819 (E_RNA)
where:
Base-Base interactions energy: -1288.065
where: short stacking energy: -564.256
Base-Backbone interact. energy: -2.523
local terms energy: -575.490132
where:
bonds (distance) C4'-P energy: -87.231
bonds (distance) P-C4' energy: -111.643
flat angles C4'-P-C4' energy: -126.641
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -168.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1764.975966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.975966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.975966 (E_RNA)
where:
Base-Base interactions energy: -1187.097
where: short stacking energy: -544.561
Base-Backbone interact. energy: 0.880
local terms energy: -578.758988
where:
bonds (distance) C4'-P energy: -104.928
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -124.429
flat angles P-C4'-P energy: -91.100
tors. eta vs tors. theta energy: -158.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1667.074187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.074187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.074187 (E_RNA)
where:
Base-Base interactions energy: -1155.768
where: short stacking energy: -495.997
Base-Backbone interact. energy: 0.391
local terms energy: -511.697451
where:
bonds (distance) C4'-P energy: -96.524
bonds (distance) P-C4' energy: -92.766
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -81.141
tors. eta vs tors. theta energy: -130.481
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: 282
Temperature: 1.100000
Total energy: -1594.584209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.584209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.584209 (E_RNA)
where:
Base-Base interactions energy: -1084.878
where: short stacking energy: -488.241
Base-Backbone interact. energy: -0.953
local terms energy: -508.753126
where:
bonds (distance) C4'-P energy: -85.215
bonds (distance) P-C4' energy: -106.056
flat angles C4'-P-C4' energy: -103.901
flat angles P-C4'-P energy: -73.513
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: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1521.890293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.890293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.890293 (E_RNA)
where:
Base-Base interactions energy: -1019.385
where: short stacking energy: -451.802
Base-Backbone interact. energy: -0.753
local terms energy: -501.752566
where:
bonds (distance) C4'-P energy: -89.960
bonds (distance) P-C4' energy: -104.566
flat angles C4'-P-C4' energy: -120.014
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -135.506
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1368.035828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.035828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.035828 (E_RNA)
where:
Base-Base interactions energy: -918.036
where: short stacking energy: -397.765
Base-Backbone interact. energy: 1.628
local terms energy: -451.627488
where:
bonds (distance) C4'-P energy: -82.691
bonds (distance) P-C4' energy: -93.155
flat angles C4'-P-C4' energy: -101.509
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -100.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1220.501398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.501398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.501398 (E_RNA)
where:
Base-Base interactions energy: -810.254
where: short stacking energy: -348.769
Base-Backbone interact. energy: -2.987
local terms energy: -407.260374
where:
bonds (distance) C4'-P energy: -71.361
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -59.643
tors. eta vs tors. theta energy: -78.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -822.993483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.993483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.993483 (E_RNA)
where:
Base-Base interactions energy: -469.523
where: short stacking energy: -258.700
Base-Backbone interact. energy: -3.326
local terms energy: -350.145157
where:
bonds (distance) C4'-P energy: -98.212
bonds (distance) P-C4' energy: -93.962
flat angles C4'-P-C4' energy: -78.606
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -611.314331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.314331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.314331 (E_RNA)
where:
Base-Base interactions energy: -339.483
where: short stacking energy: -183.749
Base-Backbone interact. energy: -2.268
local terms energy: -269.562937
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -96.439
flat angles C4'-P-C4' energy: -76.396
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: 7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1880.811690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.811690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.811690 (E_RNA)
where:
Base-Base interactions energy: -1269.132
where: short stacking energy: -571.478
Base-Backbone interact. energy: -1.042
local terms energy: -610.637632
where:
bonds (distance) C4'-P energy: -97.472
bonds (distance) P-C4' energy: -112.268
flat angles C4'-P-C4' energy: -132.140
flat angles P-C4'-P energy: -91.379
tors. eta vs tors. theta energy: -177.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1860.369414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.369414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.369414 (E_RNA)
where:
Base-Base interactions energy: -1301.296
where: short stacking energy: -560.543
Base-Backbone interact. energy: -1.550
local terms energy: -557.523045
where:
bonds (distance) C4'-P energy: -105.657
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -123.283
flat angles P-C4'-P energy: -74.261
tors. eta vs tors. theta energy: -164.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1752.416000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.416000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.416000 (E_RNA)
where:
Base-Base interactions energy: -1195.070
where: short stacking energy: -525.457
Base-Backbone interact. energy: -1.832
local terms energy: -555.513822
where:
bonds (distance) C4'-P energy: -96.559
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -113.513
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -166.911
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: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1693.640298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.640298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.640298 (E_RNA)
where:
Base-Base interactions energy: -1144.198
where: short stacking energy: -509.208
Base-Backbone interact. energy: -2.514
local terms energy: -546.928702
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -109.775
flat angles C4'-P-C4' energy: -116.892
flat angles P-C4'-P energy: -68.803
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: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1584.684345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.684345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.684345 (E_RNA)
where:
Base-Base interactions energy: -1076.243
where: short stacking energy: -470.251
Base-Backbone interact. energy: -2.491
local terms energy: -505.950184
where:
bonds (distance) C4'-P energy: -93.780
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -113.000
flat angles P-C4'-P energy: -70.486
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: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1509.610035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.610035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.610035 (E_RNA)
where:
Base-Base interactions energy: -1043.806
where: short stacking energy: -443.447
Base-Backbone interact. energy: 2.514
local terms energy: -468.318395
where:
bonds (distance) C4'-P energy: -99.325
bonds (distance) P-C4' energy: -87.391
flat angles C4'-P-C4' energy: -96.604
flat angles P-C4'-P energy: -64.208
tors. eta vs tors. theta energy: -120.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1394.000637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.000637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.000637 (E_RNA)
where:
Base-Base interactions energy: -945.463
where: short stacking energy: -397.653
Base-Backbone interact. energy: -1.697
local terms energy: -446.840145
where:
bonds (distance) C4'-P energy: -103.961
bonds (distance) P-C4' energy: -87.733
flat angles C4'-P-C4' energy: -85.448
flat angles P-C4'-P energy: -63.349
tors. eta vs tors. theta energy: -106.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1137.367602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.367602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.367602 (E_RNA)
where:
Base-Base interactions energy: -738.086
where: short stacking energy: -324.213
Base-Backbone interact. energy: -2.104
local terms energy: -397.177884
where:
bonds (distance) C4'-P energy: -80.446
bonds (distance) P-C4' energy: -107.555
flat angles C4'-P-C4' energy: -81.446
flat angles P-C4'-P energy: -67.380
tors. eta vs tors. theta energy: -60.351
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: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -845.096108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.096108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.096108 (E_RNA)
where:
Base-Base interactions energy: -504.955
where: short stacking energy: -247.879
Base-Backbone interact. energy: -2.683
local terms energy: -337.457355
where:
bonds (distance) C4'-P energy: -67.541
bonds (distance) P-C4' energy: -88.337
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -33.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -591.317694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.317694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.317694 (E_RNA)
where:
Base-Base interactions energy: -294.158
where: short stacking energy: -164.548
Base-Backbone interact. energy: -0.593
local terms energy: -296.566672
where:
bonds (distance) C4'-P energy: -87.047
bonds (distance) P-C4' energy: -95.163
flat angles C4'-P-C4' energy: -75.678
flat angles P-C4'-P energy: -46.870
tors. eta vs tors. theta energy: 8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1888.703975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.703975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.703975 (E_RNA)
where:
Base-Base interactions energy: -1300.364
where: short stacking energy: -583.967
Base-Backbone interact. energy: 4.836
local terms energy: -593.175781
where:
bonds (distance) C4'-P energy: -109.921
bonds (distance) P-C4' energy: -102.905
flat angles C4'-P-C4' energy: -129.905
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -165.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1844.057383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.057383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.057383 (E_RNA)
where:
Base-Base interactions energy: -1246.668
where: short stacking energy: -557.009
Base-Backbone interact. energy: -1.728
local terms energy: -595.661568
where:
bonds (distance) C4'-P energy: -92.130
bonds (distance) P-C4' energy: -110.822
flat angles C4'-P-C4' energy: -131.505
flat angles P-C4'-P energy: -81.083
tors. eta vs tors. theta energy: -180.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1751.515880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.515880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.515880 (E_RNA)
where:
Base-Base interactions energy: -1192.534
where: short stacking energy: -535.138
Base-Backbone interact. energy: -3.464
local terms energy: -555.517700
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -107.471
flat angles C4'-P-C4' energy: -116.670
flat angles P-C4'-P energy: -79.601
tors. eta vs tors. theta energy: -160.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1708.878983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.878983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.878983 (E_RNA)
where:
Base-Base interactions energy: -1152.707
where: short stacking energy: -500.480
Base-Backbone interact. energy: -1.101
local terms energy: -555.070501
where:
bonds (distance) C4'-P energy: -101.849
bonds (distance) P-C4' energy: -105.642
flat angles C4'-P-C4' energy: -119.973
flat angles P-C4'-P energy: -80.377
tors. eta vs tors. theta energy: -147.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1585.923907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.923907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.923907 (E_RNA)
where:
Base-Base interactions energy: -1073.951
where: short stacking energy: -471.831
Base-Backbone interact. energy: 0.104
local terms energy: -512.076755
where:
bonds (distance) C4'-P energy: -98.383
bonds (distance) P-C4' energy: -92.438
flat angles C4'-P-C4' energy: -102.324
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -143.489
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: 284
Temperature: 1.150000
Total energy: -1517.253078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.253078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.253078 (E_RNA)
where:
Base-Base interactions energy: -1029.256
where: short stacking energy: -447.631
Base-Backbone interact. energy: -0.367
local terms energy: -487.630255
where:
bonds (distance) C4'-P energy: -100.939
bonds (distance) P-C4' energy: -91.814
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -72.263
tors. eta vs tors. theta energy: -118.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1384.267780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.267780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.267780 (E_RNA)
where:
Base-Base interactions energy: -912.700
where: short stacking energy: -406.904
Base-Backbone interact. energy: -1.774
local terms energy: -469.793989
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -80.160
flat angles C4'-P-C4' energy: -106.282
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -111.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1146.111898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.111898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.111898 (E_RNA)
where:
Base-Base interactions energy: -737.291
where: short stacking energy: -319.100
Base-Backbone interact. energy: -3.086
local terms energy: -405.734957
where:
bonds (distance) C4'-P energy: -83.414
bonds (distance) P-C4' energy: -103.120
flat angles C4'-P-C4' energy: -81.699
flat angles P-C4'-P energy: -69.522
tors. eta vs tors. theta energy: -67.979
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: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -857.783525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.783525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.783525 (E_RNA)
where:
Base-Base interactions energy: -509.080
where: short stacking energy: -242.903
Base-Backbone interact. energy: -0.696
local terms energy: -348.007662
where:
bonds (distance) C4'-P energy: -90.441
bonds (distance) P-C4' energy: -82.320
flat angles C4'-P-C4' energy: -108.657
flat angles P-C4'-P energy: -47.900
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -544.450262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.450262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.450262 (E_RNA)
where:
Base-Base interactions energy: -276.434
where: short stacking energy: -145.393
Base-Backbone interact. energy: 0.801
local terms energy: -268.816426
where:
bonds (distance) C4'-P energy: -72.739
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -67.459
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: 7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1872.805319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.805319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.805319 (E_RNA)
where:
Base-Base interactions energy: -1289.470
where: short stacking energy: -567.286
Base-Backbone interact. energy: -1.571
local terms energy: -581.764640
where:
bonds (distance) C4'-P energy: -110.255
bonds (distance) P-C4' energy: -107.650
flat angles C4'-P-C4' energy: -114.044
flat angles P-C4'-P energy: -90.428
tors. eta vs tors. theta energy: -159.387
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: 285
Temperature: 0.950000
Total energy: -1831.546379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.546379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.546379 (E_RNA)
where:
Base-Base interactions energy: -1249.468
where: short stacking energy: -577.480
Base-Backbone interact. energy: -1.350
local terms energy: -580.728803
where:
bonds (distance) C4'-P energy: -98.334
bonds (distance) P-C4' energy: -101.598
flat angles C4'-P-C4' energy: -121.545
flat angles P-C4'-P energy: -83.253
tors. eta vs tors. theta energy: -175.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1731.616631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.616631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.616631 (E_RNA)
where:
Base-Base interactions energy: -1186.253
where: short stacking energy: -488.683
Base-Backbone interact. energy: -0.293
local terms energy: -545.070418
where:
bonds (distance) C4'-P energy: -107.308
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -116.343
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: -158.005
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: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1680.321926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.321926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.321926 (E_RNA)
where:
Base-Base interactions energy: -1125.679
where: short stacking energy: -531.268
Base-Backbone interact. energy: -1.595
local terms energy: -553.047899
where:
bonds (distance) C4'-P energy: -103.746
bonds (distance) P-C4' energy: -114.291
flat angles C4'-P-C4' energy: -110.627
flat angles P-C4'-P energy: -66.257
tors. eta vs tors. theta energy: -158.127
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1602.986440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.986440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.986440 (E_RNA)
where:
Base-Base interactions energy: -1108.698
where: short stacking energy: -472.160
Base-Backbone interact. energy: -2.330
local terms energy: -491.958586
where:
bonds (distance) C4'-P energy: -97.357
bonds (distance) P-C4' energy: -88.873
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -132.321
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1554.899517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.899517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.899517 (E_RNA)
where:
Base-Base interactions energy: -1042.066
where: short stacking energy: -485.040
Base-Backbone interact. energy: -1.521
local terms energy: -511.312486
where:
bonds (distance) C4'-P energy: -97.260
bonds (distance) P-C4' energy: -93.002
flat angles C4'-P-C4' energy: -104.546
flat angles P-C4'-P energy: -82.190
tors. eta vs tors. theta energy: -134.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1325.042459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.042459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.042459 (E_RNA)
where:
Base-Base interactions energy: -898.507
where: short stacking energy: -389.528
Base-Backbone interact. energy: -2.562
local terms energy: -423.973926
where:
bonds (distance) C4'-P energy: -80.675
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -79.950
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -89.046
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: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1210.511379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.511379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.511379 (E_RNA)
where:
Base-Base interactions energy: -793.352
where: short stacking energy: -365.691
Base-Backbone interact. energy: -1.298
local terms energy: -415.861087
where:
bonds (distance) C4'-P energy: -72.674
bonds (distance) P-C4' energy: -93.629
flat angles C4'-P-C4' energy: -92.369
flat angles P-C4'-P energy: -73.898
tors. eta vs tors. theta energy: -83.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -795.200361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.200361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.200361 (E_RNA)
where:
Base-Base interactions energy: -463.204
where: short stacking energy: -207.781
Base-Backbone interact. energy: -2.076
local terms energy: -329.920514
where:
bonds (distance) C4'-P energy: -77.088
bonds (distance) P-C4' energy: -94.684
flat angles C4'-P-C4' energy: -88.589
flat angles P-C4'-P energy: -49.725
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -632.032989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.032989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.032989 (E_RNA)
where:
Base-Base interactions energy: -351.642
where: short stacking energy: -180.557
Base-Backbone interact. energy: 0.687
local terms energy: -281.077310
where:
bonds (distance) C4'-P energy: -80.555
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -79.483
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -6.233
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: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1904.832059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.832059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.832059 (E_RNA)
where:
Base-Base interactions energy: -1317.761
where: short stacking energy: -570.406
Base-Backbone interact. energy: -1.422
local terms energy: -585.649304
where:
bonds (distance) C4'-P energy: -107.520
bonds (distance) P-C4' energy: -108.196
flat angles C4'-P-C4' energy: -111.239
flat angles P-C4'-P energy: -85.816
tors. eta vs tors. theta energy: -172.878
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: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1832.007198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.007198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.007198 (E_RNA)
where:
Base-Base interactions energy: -1241.574
where: short stacking energy: -556.433
Base-Backbone interact. energy: -3.678
local terms energy: -586.754817
where:
bonds (distance) C4'-P energy: -107.734
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -124.771
flat angles P-C4'-P energy: -78.079
tors. eta vs tors. theta energy: -172.290
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: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1766.504736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.504736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.504736 (E_RNA)
where:
Base-Base interactions energy: -1184.789
where: short stacking energy: -543.499
Base-Backbone interact. energy: 1.900
local terms energy: -583.615446
where:
bonds (distance) C4'-P energy: -103.341
bonds (distance) P-C4' energy: -107.409
flat angles C4'-P-C4' energy: -117.559
flat angles P-C4'-P energy: -85.094
tors. eta vs tors. theta energy: -170.213
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: 286
Temperature: 1.050000
Total energy: -1682.980477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.980477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.980477 (E_RNA)
where:
Base-Base interactions energy: -1144.625
where: short stacking energy: -530.365
Base-Backbone interact. energy: -1.172
local terms energy: -537.183671
where:
bonds (distance) C4'-P energy: -102.814
bonds (distance) P-C4' energy: -102.665
flat angles C4'-P-C4' energy: -109.962
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -149.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1613.601093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.601093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.601093 (E_RNA)
where:
Base-Base interactions energy: -1098.199
where: short stacking energy: -478.614
Base-Backbone interact. energy: 0.973
local terms energy: -516.374720
where:
bonds (distance) C4'-P energy: -90.873
bonds (distance) P-C4' energy: -100.592
flat angles C4'-P-C4' energy: -123.216
flat angles P-C4'-P energy: -69.378
tors. eta vs tors. theta energy: -132.316
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: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1513.217094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.217094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.217094 (E_RNA)
where:
Base-Base interactions energy: -1023.083
where: short stacking energy: -430.703
Base-Backbone interact. energy: -3.871
local terms energy: -486.263281
where:
bonds (distance) C4'-P energy: -89.312
bonds (distance) P-C4' energy: -103.993
flat angles C4'-P-C4' energy: -104.700
flat angles P-C4'-P energy: -64.663
tors. eta vs tors. theta energy: -123.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1299.162327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.162327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.162327 (E_RNA)
where:
Base-Base interactions energy: -883.760
where: short stacking energy: -378.939
Base-Backbone interact. energy: 0.272
local terms energy: -415.674908
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -89.220
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: -86.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1189.269682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.269682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.269682 (E_RNA)
where:
Base-Base interactions energy: -785.804
where: short stacking energy: -331.821
Base-Backbone interact. energy: -1.372
local terms energy: -402.094115
where:
bonds (distance) C4'-P energy: -94.402
bonds (distance) P-C4' energy: -86.131
flat angles C4'-P-C4' energy: -99.563
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: -70.360
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: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -801.177644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.177644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.177644 (E_RNA)
where:
Base-Base interactions energy: -449.560
where: short stacking energy: -225.808
Base-Backbone interact. energy: -0.068
local terms energy: -351.550111
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -98.079
flat angles C4'-P-C4' energy: -82.953
flat angles P-C4'-P energy: -41.507
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: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -580.525506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.525506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.525506 (E_RNA)
where:
Base-Base interactions energy: -287.831
where: short stacking energy: -156.007
Base-Backbone interact. energy: -4.352
local terms energy: -288.342568
where:
bonds (distance) C4'-P energy: -83.017
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -81.238
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: 16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1908.477121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.477121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.477121 (E_RNA)
where:
Base-Base interactions energy: -1318.378
where: short stacking energy: -576.435
Base-Backbone interact. energy: -1.913
local terms energy: -588.185878
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -111.599
flat angles C4'-P-C4' energy: -117.937
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -166.484
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: 287
Temperature: 0.950000
Total energy: -1834.998100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.998100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.998100 (E_RNA)
where:
Base-Base interactions energy: -1238.555
where: short stacking energy: -570.644
Base-Backbone interact. energy: -2.421
local terms energy: -594.022649
where:
bonds (distance) C4'-P energy: -108.843
bonds (distance) P-C4' energy: -107.039
flat angles C4'-P-C4' energy: -122.251
flat angles P-C4'-P energy: -88.006
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1803.774005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.774005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.774005 (E_RNA)
where:
Base-Base interactions energy: -1222.900
where: short stacking energy: -567.229
Base-Backbone interact. energy: -0.771
local terms energy: -580.102993
where:
bonds (distance) C4'-P energy: -111.886
bonds (distance) P-C4' energy: -95.763
flat angles C4'-P-C4' energy: -124.860
flat angles P-C4'-P energy: -74.997
tors. eta vs tors. theta energy: -172.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1670.741835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.741835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.741835 (E_RNA)
where:
Base-Base interactions energy: -1157.988
where: short stacking energy: -497.339
Base-Backbone interact. energy: 0.440
local terms energy: -513.193505
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -94.725
flat angles C4'-P-C4' energy: -117.787
flat angles P-C4'-P energy: -57.148
tors. eta vs tors. theta energy: -143.849
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: 287
Temperature: 1.100000
Total energy: -1628.409566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.409566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.409566 (E_RNA)
where:
Base-Base interactions energy: -1122.402
where: short stacking energy: -492.938
Base-Backbone interact. energy: 0.064
local terms energy: -506.071631
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -94.907
flat angles C4'-P-C4' energy: -115.436
flat angles P-C4'-P energy: -63.072
tors. eta vs tors. theta energy: -139.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1489.606488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.606488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.606488 (E_RNA)
where:
Base-Base interactions energy: -1039.319
where: short stacking energy: -441.206
Base-Backbone interact. energy: 2.972
local terms energy: -453.259328
where:
bonds (distance) C4'-P energy: -83.697
bonds (distance) P-C4' energy: -86.613
flat angles C4'-P-C4' energy: -100.639
flat angles P-C4'-P energy: -75.195
tors. eta vs tors. theta energy: -107.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1344.364770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.364770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.364770 (E_RNA)
where:
Base-Base interactions energy: -886.447
where: short stacking energy: -412.230
Base-Backbone interact. energy: -0.720
local terms energy: -457.198036
where:
bonds (distance) C4'-P energy: -95.837
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -96.874
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -101.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1111.505365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.505365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.505365 (E_RNA)
where:
Base-Base interactions energy: -750.967
where: short stacking energy: -321.396
Base-Backbone interact. energy: 0.202
local terms energy: -360.740606
where:
bonds (distance) C4'-P energy: -68.460
bonds (distance) P-C4' energy: -106.199
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -59.954
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: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -827.194406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.194406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.194406 (E_RNA)
where:
Base-Base interactions energy: -506.541
where: short stacking energy: -240.398
Base-Backbone interact. energy: -0.693
local terms energy: -319.960289
where:
bonds (distance) C4'-P energy: -68.555
bonds (distance) P-C4' energy: -96.406
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -38.088
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: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -581.345889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.345889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.345889 (E_RNA)
where:
Base-Base interactions energy: -268.279
where: short stacking energy: -158.052
Base-Backbone interact. energy: 0.731
local terms energy: -313.797464
where:
bonds (distance) C4'-P energy: -88.567
bonds (distance) P-C4' energy: -107.645
flat angles C4'-P-C4' energy: -71.141
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1926.101616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.101616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.101616 (E_RNA)
where:
Base-Base interactions energy: -1327.960
where: short stacking energy: -566.790
Base-Backbone interact. energy: -3.174
local terms energy: -594.967271
where:
bonds (distance) C4'-P energy: -107.171
bonds (distance) P-C4' energy: -105.748
flat angles C4'-P-C4' energy: -121.693
flat angles P-C4'-P energy: -90.366
tors. eta vs tors. theta energy: -169.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1835.161944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.161944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.161944 (E_RNA)
where:
Base-Base interactions energy: -1252.224
where: short stacking energy: -575.530
Base-Backbone interact. energy: -2.320
local terms energy: -580.618542
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -96.411
flat angles C4'-P-C4' energy: -121.586
flat angles P-C4'-P energy: -76.425
tors. eta vs tors. theta energy: -168.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1762.996839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.996839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.996839 (E_RNA)
where:
Base-Base interactions energy: -1197.812
where: short stacking energy: -541.953
Base-Backbone interact. energy: -0.978
local terms energy: -564.207203
where:
bonds (distance) C4'-P energy: -114.209
bonds (distance) P-C4' energy: -103.026
flat angles C4'-P-C4' energy: -115.957
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -154.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1688.921191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.921191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.921191 (E_RNA)
where:
Base-Base interactions energy: -1162.865
where: short stacking energy: -509.848
Base-Backbone interact. energy: 5.449
local terms energy: -531.505311
where:
bonds (distance) C4'-P energy: -100.308
bonds (distance) P-C4' energy: -87.603
flat angles C4'-P-C4' energy: -123.492
flat angles P-C4'-P energy: -77.712
tors. eta vs tors. theta energy: -142.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1616.292802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.292802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.292802 (E_RNA)
where:
Base-Base interactions energy: -1106.853
where: short stacking energy: -471.137
Base-Backbone interact. energy: -1.189
local terms energy: -508.250521
where:
bonds (distance) C4'-P energy: -92.141
bonds (distance) P-C4' energy: -91.398
flat angles C4'-P-C4' energy: -121.200
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -132.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1508.688327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.688327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.688327 (E_RNA)
where:
Base-Base interactions energy: -1024.485
where: short stacking energy: -460.510
Base-Backbone interact. energy: -0.017
local terms energy: -484.186248
where:
bonds (distance) C4'-P energy: -88.531
bonds (distance) P-C4' energy: -97.122
flat angles C4'-P-C4' energy: -107.777
flat angles P-C4'-P energy: -55.810
tors. eta vs tors. theta energy: -134.947
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: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1333.664126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.664126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.664126 (E_RNA)
where:
Base-Base interactions energy: -895.034
where: short stacking energy: -373.163
Base-Backbone interact. energy: 1.746
local terms energy: -440.376358
where:
bonds (distance) C4'-P energy: -84.911
bonds (distance) P-C4' energy: -105.761
flat angles C4'-P-C4' energy: -99.586
flat angles P-C4'-P energy: -63.906
tors. eta vs tors. theta energy: -86.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1261.324454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.324454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.324454 (E_RNA)
where:
Base-Base interactions energy: -843.822
where: short stacking energy: -361.257
Base-Backbone interact. energy: -3.843
local terms energy: -413.659256
where:
bonds (distance) C4'-P energy: -89.268
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -91.300
flat angles P-C4'-P energy: -56.001
tors. eta vs tors. theta energy: -88.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -876.918181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.918181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.918181 (E_RNA)
where:
Base-Base interactions energy: -518.384
where: short stacking energy: -229.671
Base-Backbone interact. energy: 1.689
local terms energy: -360.223181
where:
bonds (distance) C4'-P energy: -95.916
bonds (distance) P-C4' energy: -92.705
flat angles C4'-P-C4' energy: -82.534
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -33.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -583.877735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.877735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.877735 (E_RNA)
where:
Base-Base interactions energy: -309.601
where: short stacking energy: -175.149
Base-Backbone interact. energy: -2.359
local terms energy: -271.917274
where:
bonds (distance) C4'-P energy: -73.047
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -67.472
flat angles P-C4'-P energy: -53.854
tors. eta vs tors. theta energy: -3.177
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: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1892.319935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.319935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.319935 (E_RNA)
where:
Base-Base interactions energy: -1288.996
where: short stacking energy: -561.447
Base-Backbone interact. energy: -0.810
local terms energy: -602.513629
where:
bonds (distance) C4'-P energy: -100.987
bonds (distance) P-C4' energy: -115.566
flat angles C4'-P-C4' energy: -129.511
flat angles P-C4'-P energy: -87.141
tors. eta vs tors. theta energy: -169.308
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: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1838.371046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.371046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.371046 (E_RNA)
where:
Base-Base interactions energy: -1230.060
where: short stacking energy: -564.303
Base-Backbone interact. energy: -2.082
local terms energy: -606.229802
where:
bonds (distance) C4'-P energy: -107.218
bonds (distance) P-C4' energy: -111.889
flat angles C4'-P-C4' energy: -126.927
flat angles P-C4'-P energy: -84.006
tors. eta vs tors. theta energy: -176.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1730.418479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.418479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.418479 (E_RNA)
where:
Base-Base interactions energy: -1182.483
where: short stacking energy: -514.792
Base-Backbone interact. energy: -2.385
local terms energy: -545.550466
where:
bonds (distance) C4'-P energy: -97.901
bonds (distance) P-C4' energy: -91.658
flat angles C4'-P-C4' energy: -124.678
flat angles P-C4'-P energy: -84.492
tors. eta vs tors. theta energy: -146.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1695.683441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.683441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.683441 (E_RNA)
where:
Base-Base interactions energy: -1139.410
where: short stacking energy: -500.206
Base-Backbone interact. energy: -2.152
local terms energy: -554.121788
where:
bonds (distance) C4'-P energy: -98.248
bonds (distance) P-C4' energy: -104.637
flat angles C4'-P-C4' energy: -117.441
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -151.534
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: 289
Temperature: 1.100000
Total energy: -1629.709476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.709476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.709476 (E_RNA)
where:
Base-Base interactions energy: -1111.559
where: short stacking energy: -467.025
Base-Backbone interact. energy: -1.537
local terms energy: -516.612924
where:
bonds (distance) C4'-P energy: -88.653
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -118.990
flat angles P-C4'-P energy: -87.070
tors. eta vs tors. theta energy: -120.500
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: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1545.889154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.889154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.889154 (E_RNA)
where:
Base-Base interactions energy: -1038.469
where: short stacking energy: -443.473
Base-Backbone interact. energy: -0.172
local terms energy: -507.247499
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -98.985
flat angles C4'-P-C4' energy: -112.996
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -125.773
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: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1330.338208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.338208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.338208 (E_RNA)
where:
Base-Base interactions energy: -883.114
where: short stacking energy: -375.164
Base-Backbone interact. energy: -0.844
local terms energy: -446.380964
where:
bonds (distance) C4'-P energy: -96.521
bonds (distance) P-C4' energy: -105.607
flat angles C4'-P-C4' energy: -97.628
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -81.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1251.097950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.097950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.097950 (E_RNA)
where:
Base-Base interactions energy: -830.185
where: short stacking energy: -349.760
Base-Backbone interact. energy: 0.693
local terms energy: -421.605084
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -89.766
flat angles C4'-P-C4' energy: -92.487
flat angles P-C4'-P energy: -60.657
tors. eta vs tors. theta energy: -77.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -883.178375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.178375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.178375 (E_RNA)
where:
Base-Base interactions energy: -531.902
where: short stacking energy: -261.971
Base-Backbone interact. energy: 1.576
local terms energy: -352.851888
where:
bonds (distance) C4'-P energy: -82.858
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -90.932
flat angles P-C4'-P energy: -63.465
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -489.857086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.857086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.857086 (E_RNA)
where:
Base-Base interactions energy: -216.323
where: short stacking energy: -146.193
Base-Backbone interact. energy: -1.419
local terms energy: -272.114221
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -80.672
flat angles C4'-P-C4' energy: -82.154
flat angles P-C4'-P energy: -44.371
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1899.994049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.994049 (E_RNA)
where:
Base-Base interactions energy: -1305.423
where: short stacking energy: -568.224
Base-Backbone interact. energy: -1.818
local terms energy: -592.753058
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -125.966
flat angles P-C4'-P energy: -82.837
tors. eta vs tors. theta energy: -171.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1842.021726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.021726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.021726 (E_RNA)
where:
Base-Base interactions energy: -1265.496
where: short stacking energy: -536.564
Base-Backbone interact. energy: -2.197
local terms energy: -574.328425
where:
bonds (distance) C4'-P energy: -115.993
bonds (distance) P-C4' energy: -113.800
flat angles C4'-P-C4' energy: -104.599
flat angles P-C4'-P energy: -75.163
tors. eta vs tors. theta energy: -164.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1798.109737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.109737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.109737 (E_RNA)
where:
Base-Base interactions energy: -1231.917
where: short stacking energy: -521.719
Base-Backbone interact. energy: -3.048
local terms energy: -563.145457
where:
bonds (distance) C4'-P energy: -104.857
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -129.872
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: -149.605
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1666.428503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.428503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.428503 (E_RNA)
where:
Base-Base interactions energy: -1134.727
where: short stacking energy: -495.013
Base-Backbone interact. energy: -0.363
local terms energy: -531.338242
where:
bonds (distance) C4'-P energy: -92.392
bonds (distance) P-C4' energy: -102.708
flat angles C4'-P-C4' energy: -111.239
flat angles P-C4'-P energy: -72.848
tors. eta vs tors. theta energy: -152.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1604.555274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.555274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.555274 (E_RNA)
where:
Base-Base interactions energy: -1087.098
where: short stacking energy: -480.984
Base-Backbone interact. energy: -2.149
local terms energy: -515.307849
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -92.252
flat angles C4'-P-C4' energy: -117.541
flat angles P-C4'-P energy: -64.116
tors. eta vs tors. theta energy: -134.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1487.006592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.006592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.006592 (E_RNA)
where:
Base-Base interactions energy: -995.324
where: short stacking energy: -427.653
Base-Backbone interact. energy: -0.493
local terms energy: -491.188965
where:
bonds (distance) C4'-P energy: -77.024
bonds (distance) P-C4' energy: -108.704
flat angles C4'-P-C4' energy: -110.558
flat angles P-C4'-P energy: -77.139
tors. eta vs tors. theta energy: -117.763
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1308.810477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.810477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.810477 (E_RNA)
where:
Base-Base interactions energy: -883.489
where: short stacking energy: -391.455
Base-Backbone interact. energy: 5.999
local terms energy: -431.320789
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -85.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1237.984903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.984903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.984903 (E_RNA)
where:
Base-Base interactions energy: -812.106
where: short stacking energy: -346.016
Base-Backbone interact. energy: -0.993
local terms energy: -424.885942
where:
bonds (distance) C4'-P energy: -78.201
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -97.700
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -93.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -910.810326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.810326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.810326 (E_RNA)
where:
Base-Base interactions energy: -545.445
where: short stacking energy: -262.770
Base-Backbone interact. energy: 0.607
local terms energy: -365.972754
where:
bonds (distance) C4'-P energy: -88.075
bonds (distance) P-C4' energy: -91.508
flat angles C4'-P-C4' energy: -92.429
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -48.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -463.450686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.450686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.450686 (E_RNA)
where:
Base-Base interactions energy: -199.002
where: short stacking energy: -135.360
Base-Backbone interact. energy: 6.113
local terms energy: -270.561780
where:
bonds (distance) C4'-P energy: -94.177
bonds (distance) P-C4' energy: -87.017
flat angles C4'-P-C4' energy: -72.131
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: 6.852
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1896.838030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.838030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.838030 (E_RNA)
where:
Base-Base interactions energy: -1292.983
where: short stacking energy: -546.237
Base-Backbone interact. energy: -2.076
local terms energy: -601.778873
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -116.509
flat angles C4'-P-C4' energy: -123.816
flat angles P-C4'-P energy: -82.321
tors. eta vs tors. theta energy: -169.881
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: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1803.685184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.685184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.685184 (E_RNA)
where:
Base-Base interactions energy: -1229.644
where: short stacking energy: -549.134
Base-Backbone interact. energy: -3.470
local terms energy: -570.570779
where:
bonds (distance) C4'-P energy: -105.079
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -120.736
flat angles P-C4'-P energy: -87.066
tors. eta vs tors. theta energy: -159.203
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1734.201558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.201558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.201558 (E_RNA)
where:
Base-Base interactions energy: -1190.910
where: short stacking energy: -530.815
Base-Backbone interact. energy: -1.463
local terms energy: -541.828582
where:
bonds (distance) C4'-P energy: -96.565
bonds (distance) P-C4' energy: -101.327
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -75.397
tors. eta vs tors. theta energy: -155.779
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: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1715.595024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.595024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.595024 (E_RNA)
where:
Base-Base interactions energy: -1192.414
where: short stacking energy: -535.468
Base-Backbone interact. energy: 5.723
local terms energy: -528.904202
where:
bonds (distance) C4'-P energy: -86.396
bonds (distance) P-C4' energy: -97.976
flat angles C4'-P-C4' energy: -113.569
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -159.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1602.136721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.136721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.136721 (E_RNA)
where:
Base-Base interactions energy: -1093.783
where: short stacking energy: -453.298
Base-Backbone interact. energy: -3.036
local terms energy: -505.318443
where:
bonds (distance) C4'-P energy: -113.279
bonds (distance) P-C4' energy: -104.839
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -122.483
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: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1504.083964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.083964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.083964 (E_RNA)
where:
Base-Base interactions energy: -1007.024
where: short stacking energy: -442.819
Base-Backbone interact. energy: -0.555
local terms energy: -496.504929
where:
bonds (distance) C4'-P energy: -96.080
bonds (distance) P-C4' energy: -99.310
flat angles C4'-P-C4' energy: -113.031
flat angles P-C4'-P energy: -66.687
tors. eta vs tors. theta energy: -121.396
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1295.145610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.145610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.145610 (E_RNA)
where:
Base-Base interactions energy: -890.533
where: short stacking energy: -377.432
Base-Backbone interact. energy: -0.566
local terms energy: -404.046189
where:
bonds (distance) C4'-P energy: -86.573
bonds (distance) P-C4' energy: -77.585
flat angles C4'-P-C4' energy: -95.330
flat angles P-C4'-P energy: -59.557
tors. eta vs tors. theta energy: -85.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1253.945514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.945514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.945514 (E_RNA)
where:
Base-Base interactions energy: -833.929
where: short stacking energy: -382.016
Base-Backbone interact. energy: -2.481
local terms energy: -417.535234
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -86.291
flat angles C4'-P-C4' energy: -96.316
flat angles P-C4'-P energy: -56.410
tors. eta vs tors. theta energy: -96.597
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: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -899.843378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.843378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.843378 (E_RNA)
where:
Base-Base interactions energy: -535.596
where: short stacking energy: -253.159
Base-Backbone interact. energy: 0.560
local terms energy: -364.807911
where:
bonds (distance) C4'-P energy: -90.732
bonds (distance) P-C4' energy: -83.921
flat angles C4'-P-C4' energy: -86.335
flat angles P-C4'-P energy: -66.466
tors. eta vs tors. theta energy: -37.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -488.129903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.129903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.129903 (E_RNA)
where:
Base-Base interactions energy: -217.070
where: short stacking energy: -139.723
Base-Backbone interact. energy: 4.283
local terms energy: -275.342724
where:
bonds (distance) C4'-P energy: -83.913
bonds (distance) P-C4' energy: -78.137
flat angles C4'-P-C4' energy: -64.274
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: 18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1884.497987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.497987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.497987 (E_RNA)
where:
Base-Base interactions energy: -1307.449
where: short stacking energy: -556.733
Base-Backbone interact. energy: -4.110
local terms energy: -572.939338
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -105.451
flat angles C4'-P-C4' energy: -133.353
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -160.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1835.860391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.860391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.860391 (E_RNA)
where:
Base-Base interactions energy: -1240.385
where: short stacking energy: -561.760
Base-Backbone interact. energy: -3.657
local terms energy: -591.817972
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -106.817
flat angles C4'-P-C4' energy: -131.077
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -162.033
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1736.107460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.107460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.107460 (E_RNA)
where:
Base-Base interactions energy: -1164.460
where: short stacking energy: -536.295
Base-Backbone interact. energy: -1.176
local terms energy: -570.471923
where:
bonds (distance) C4'-P energy: -99.895
bonds (distance) P-C4' energy: -102.832
flat angles C4'-P-C4' energy: -117.086
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -160.445
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: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1683.573935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.573935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.573935 (E_RNA)
where:
Base-Base interactions energy: -1139.454
where: short stacking energy: -499.632
Base-Backbone interact. energy: -1.082
local terms energy: -543.037992
where:
bonds (distance) C4'-P energy: -102.473
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -100.210
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -140.931
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: 292
Temperature: 1.100000
Total energy: -1622.695564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.695564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.695564 (E_RNA)
where:
Base-Base interactions energy: -1127.600
where: short stacking energy: -497.682
Base-Backbone interact. energy: -1.846
local terms energy: -493.249662
where:
bonds (distance) C4'-P energy: -75.487
bonds (distance) P-C4' energy: -99.763
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -79.073
tors. eta vs tors. theta energy: -132.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1527.444377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.444377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.444377 (E_RNA)
where:
Base-Base interactions energy: -1042.480
where: short stacking energy: -462.833
Base-Backbone interact. energy: -1.140
local terms energy: -483.824845
where:
bonds (distance) C4'-P energy: -83.099
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -108.029
flat angles P-C4'-P energy: -58.424
tors. eta vs tors. theta energy: -139.308
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: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1328.188843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.188843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.188843 (E_RNA)
where:
Base-Base interactions energy: -883.750
where: short stacking energy: -375.527
Base-Backbone interact. energy: 3.936
local terms energy: -448.374731
where:
bonds (distance) C4'-P energy: -96.067
bonds (distance) P-C4' energy: -85.145
flat angles C4'-P-C4' energy: -98.595
flat angles P-C4'-P energy: -73.244
tors. eta vs tors. theta energy: -95.324
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: 292
Temperature: 1.250000
Total energy: -1266.205803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.205803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.205803 (E_RNA)
where:
Base-Base interactions energy: -827.623
where: short stacking energy: -355.426
Base-Backbone interact. energy: -3.107
local terms energy: -435.475899
where:
bonds (distance) C4'-P energy: -87.120
bonds (distance) P-C4' energy: -92.273
flat angles C4'-P-C4' energy: -103.601
flat angles P-C4'-P energy: -55.844
tors. eta vs tors. theta energy: -96.639
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: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -938.033679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.033679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.033679 (E_RNA)
where:
Base-Base interactions energy: -606.020
where: short stacking energy: -281.512
Base-Backbone interact. energy: -1.305
local terms energy: -330.709157
where:
bonds (distance) C4'-P energy: -86.325
bonds (distance) P-C4' energy: -76.120
flat angles C4'-P-C4' energy: -93.230
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -49.119
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: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -516.415279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.415279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.415279 (E_RNA)
where:
Base-Base interactions energy: -211.095
where: short stacking energy: -135.377
Base-Backbone interact. energy: -2.431
local terms energy: -302.889456
where:
bonds (distance) C4'-P energy: -101.884
bonds (distance) P-C4' energy: -96.986
flat angles C4'-P-C4' energy: -68.948
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: 8.430
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: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1918.474947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.474947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.474947 (E_RNA)
where:
Base-Base interactions energy: -1312.228
where: short stacking energy: -547.554
Base-Backbone interact. energy: -3.979
local terms energy: -602.267413
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -99.219
flat angles C4'-P-C4' energy: -132.243
flat angles P-C4'-P energy: -101.640
tors. eta vs tors. theta energy: -164.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1804.662577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.662577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.662577 (E_RNA)
where:
Base-Base interactions energy: -1253.037
where: short stacking energy: -549.651
Base-Backbone interact. energy: 1.870
local terms energy: -553.495222
where:
bonds (distance) C4'-P energy: -92.629
bonds (distance) P-C4' energy: -106.234
flat angles C4'-P-C4' energy: -123.763
flat angles P-C4'-P energy: -71.541
tors. eta vs tors. theta energy: -159.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1729.459571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.459571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.459571 (E_RNA)
where:
Base-Base interactions energy: -1179.824
where: short stacking energy: -528.701
Base-Backbone interact. energy: 2.315
local terms energy: -551.950904
where:
bonds (distance) C4'-P energy: -99.990
bonds (distance) P-C4' energy: -99.902
flat angles C4'-P-C4' energy: -117.217
flat angles P-C4'-P energy: -85.391
tors. eta vs tors. theta energy: -149.452
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: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1702.272821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.272821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.272821 (E_RNA)
where:
Base-Base interactions energy: -1170.171
where: short stacking energy: -519.276
Base-Backbone interact. energy: -1.378
local terms energy: -530.723228
where:
bonds (distance) C4'-P energy: -104.895
bonds (distance) P-C4' energy: -93.675
flat angles C4'-P-C4' energy: -124.906
flat angles P-C4'-P energy: -67.211
tors. eta vs tors. theta energy: -140.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1598.902698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.902698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.902698 (E_RNA)
where:
Base-Base interactions energy: -1088.878
where: short stacking energy: -454.097
Base-Backbone interact. energy: -0.458
local terms energy: -509.566843
where:
bonds (distance) C4'-P energy: -97.989
bonds (distance) P-C4' energy: -90.599
flat angles C4'-P-C4' energy: -112.639
flat angles P-C4'-P energy: -71.153
tors. eta vs tors. theta energy: -137.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1522.473768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.473768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.473768 (E_RNA)
where:
Base-Base interactions energy: -1020.667
where: short stacking energy: -438.717
Base-Backbone interact. energy: 0.239
local terms energy: -502.045662
where:
bonds (distance) C4'-P energy: -94.330
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -119.631
flat angles P-C4'-P energy: -72.171
tors. eta vs tors. theta energy: -122.526
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: 293
Temperature: 1.200000
Total energy: -1356.689608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.689608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.689608 (E_RNA)
where:
Base-Base interactions energy: -915.141
where: short stacking energy: -386.562
Base-Backbone interact. energy: 0.747
local terms energy: -442.295382
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -89.965
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -103.264
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: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1172.040064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.040064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.040064 (E_RNA)
where:
Base-Base interactions energy: -780.619
where: short stacking energy: -315.262
Base-Backbone interact. energy: -0.012
local terms energy: -391.408538
where:
bonds (distance) C4'-P energy: -83.573
bonds (distance) P-C4' energy: -92.449
flat angles C4'-P-C4' energy: -100.481
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -55.951
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: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -888.600712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.600712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.600712 (E_RNA)
where:
Base-Base interactions energy: -511.563
where: short stacking energy: -239.179
Base-Backbone interact. energy: 1.534
local terms energy: -378.571107
where:
bonds (distance) C4'-P energy: -89.266
bonds (distance) P-C4' energy: -105.191
flat angles C4'-P-C4' energy: -90.890
flat angles P-C4'-P energy: -62.403
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -583.048632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.048632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.048632 (E_RNA)
where:
Base-Base interactions energy: -293.497
where: short stacking energy: -183.491
Base-Backbone interact. energy: 2.363
local terms energy: -291.914539
where:
bonds (distance) C4'-P energy: -75.931
bonds (distance) P-C4' energy: -100.216
flat angles C4'-P-C4' energy: -83.701
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1904.628509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.628509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.628509 (E_RNA)
where:
Base-Base interactions energy: -1322.406
where: short stacking energy: -582.322
Base-Backbone interact. energy: 1.167
local terms energy: -583.389379
where:
bonds (distance) C4'-P energy: -104.230
bonds (distance) P-C4' energy: -108.635
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -85.405
tors. eta vs tors. theta energy: -163.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1813.643082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.643082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.643082 (E_RNA)
where:
Base-Base interactions energy: -1242.958
where: short stacking energy: -564.418
Base-Backbone interact. energy: -3.923
local terms energy: -566.762605
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -96.458
flat angles C4'-P-C4' energy: -124.517
flat angles P-C4'-P energy: -82.123
tors. eta vs tors. theta energy: -169.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1746.572796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.572796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.572796 (E_RNA)
where:
Base-Base interactions energy: -1182.930
where: short stacking energy: -532.485
Base-Backbone interact. energy: -1.039
local terms energy: -562.603719
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -102.448
flat angles P-C4'-P energy: -92.145
tors. eta vs tors. theta energy: -161.983
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: 294
Temperature: 1.050000
Total energy: -1697.705714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.705714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.705714 (E_RNA)
where:
Base-Base interactions energy: -1162.620
where: short stacking energy: -495.461
Base-Backbone interact. energy: -4.089
local terms energy: -530.996512
where:
bonds (distance) C4'-P energy: -95.428
bonds (distance) P-C4' energy: -105.948
flat angles C4'-P-C4' energy: -112.297
flat angles P-C4'-P energy: -70.372
tors. eta vs tors. theta energy: -146.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1535.971598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.971598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.971598 (E_RNA)
where:
Base-Base interactions energy: -1034.415
where: short stacking energy: -452.012
Base-Backbone interact. energy: 3.161
local terms energy: -504.717822
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -107.210
flat angles C4'-P-C4' energy: -106.159
flat angles P-C4'-P energy: -79.889
tors. eta vs tors. theta energy: -124.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1536.760108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.760108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.760108 (E_RNA)
where:
Base-Base interactions energy: -1035.698
where: short stacking energy: -442.366
Base-Backbone interact. energy: -1.433
local terms energy: -499.629506
where:
bonds (distance) C4'-P energy: -104.630
bonds (distance) P-C4' energy: -100.912
flat angles C4'-P-C4' energy: -101.994
flat angles P-C4'-P energy: -79.044
tors. eta vs tors. theta energy: -113.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1388.281675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.281675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.281675 (E_RNA)
where:
Base-Base interactions energy: -957.718
where: short stacking energy: -396.390
Base-Backbone interact. energy: -0.431
local terms energy: -430.132745
where:
bonds (distance) C4'-P energy: -73.566
bonds (distance) P-C4' energy: -95.034
flat angles C4'-P-C4' energy: -103.481
flat angles P-C4'-P energy: -58.972
tors. eta vs tors. theta energy: -99.081
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: 294
Temperature: 1.250000
Total energy: -1192.892353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.892353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.892353 (E_RNA)
where:
Base-Base interactions energy: -781.630
where: short stacking energy: -364.657
Base-Backbone interact. energy: -1.138
local terms energy: -410.124437
where:
bonds (distance) C4'-P energy: -83.139
bonds (distance) P-C4' energy: -88.826
flat angles C4'-P-C4' energy: -88.734
flat angles P-C4'-P energy: -64.920
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: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -995.677967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.677967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.677967 (E_RNA)
where:
Base-Base interactions energy: -636.334
where: short stacking energy: -305.024
Base-Backbone interact. energy: 1.182
local terms energy: -360.526432
where:
bonds (distance) C4'-P energy: -81.341
bonds (distance) P-C4' energy: -95.804
flat angles C4'-P-C4' energy: -86.868
flat angles P-C4'-P energy: -55.932
tors. eta vs tors. theta energy: -40.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -531.107333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.107333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.107333 (E_RNA)
where:
Base-Base interactions energy: -253.252
where: short stacking energy: -156.271
Base-Backbone interact. energy: -0.531
local terms energy: -277.324610
where:
bonds (distance) C4'-P energy: -81.843
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -79.250
flat angles P-C4'-P energy: -48.383
tors. eta vs tors. theta energy: 17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1916.805818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.805818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.805818 (E_RNA)
where:
Base-Base interactions energy: -1328.334
where: short stacking energy: -569.572
Base-Backbone interact. energy: -4.393
local terms energy: -584.078603
where:
bonds (distance) C4'-P energy: -110.682
bonds (distance) P-C4' energy: -103.081
flat angles C4'-P-C4' energy: -120.545
flat angles P-C4'-P energy: -84.700
tors. eta vs tors. theta energy: -165.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1844.320072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.320072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.320072 (E_RNA)
where:
Base-Base interactions energy: -1249.397
where: short stacking energy: -558.934
Base-Backbone interact. energy: 0.001
local terms energy: -594.923351
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -107.947
flat angles C4'-P-C4' energy: -133.637
flat angles P-C4'-P energy: -79.037
tors. eta vs tors. theta energy: -172.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1764.084777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.084777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.084777 (E_RNA)
where:
Base-Base interactions energy: -1200.117
where: short stacking energy: -530.127
Base-Backbone interact. energy: -0.921
local terms energy: -563.046408
where:
bonds (distance) C4'-P energy: -92.898
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -118.462
flat angles P-C4'-P energy: -88.236
tors. eta vs tors. theta energy: -157.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1706.482612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.482612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.482612 (E_RNA)
where:
Base-Base interactions energy: -1152.828
where: short stacking energy: -508.689
Base-Backbone interact. energy: -1.529
local terms energy: -552.125974
where:
bonds (distance) C4'-P energy: -91.164
bonds (distance) P-C4' energy: -106.725
flat angles C4'-P-C4' energy: -112.889
flat angles P-C4'-P energy: -75.987
tors. eta vs tors. theta energy: -165.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1540.142890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.142890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.142890 (E_RNA)
where:
Base-Base interactions energy: -1044.069
where: short stacking energy: -466.970
Base-Backbone interact. energy: 1.626
local terms energy: -497.699263
where:
bonds (distance) C4'-P energy: -95.219
bonds (distance) P-C4' energy: -98.479
flat angles C4'-P-C4' energy: -104.880
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -124.065
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: 295
Temperature: 1.150000
Total energy: -1480.183965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.183965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.183965 (E_RNA)
where:
Base-Base interactions energy: -1008.149
where: short stacking energy: -442.135
Base-Backbone interact. energy: -1.537
local terms energy: -470.498030
where:
bonds (distance) C4'-P energy: -97.010
bonds (distance) P-C4' energy: -89.207
flat angles C4'-P-C4' energy: -100.431
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -114.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1303.690997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.690997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.690997 (E_RNA)
where:
Base-Base interactions energy: -866.276
where: short stacking energy: -379.127
Base-Backbone interact. energy: 1.847
local terms energy: -439.262470
where:
bonds (distance) C4'-P energy: -91.321
bonds (distance) P-C4' energy: -93.319
flat angles C4'-P-C4' energy: -103.450
flat angles P-C4'-P energy: -76.142
tors. eta vs tors. theta energy: -75.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1198.517079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.517079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.517079 (E_RNA)
where:
Base-Base interactions energy: -761.188
where: short stacking energy: -320.653
Base-Backbone interact. energy: 0.509
local terms energy: -437.838084
where:
bonds (distance) C4'-P energy: -81.228
bonds (distance) P-C4' energy: -112.899
flat angles C4'-P-C4' energy: -98.831
flat angles P-C4'-P energy: -67.117
tors. eta vs tors. theta energy: -77.763
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: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1001.841144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.841144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.841144 (E_RNA)
where:
Base-Base interactions energy: -664.327
where: short stacking energy: -289.031
Base-Backbone interact. energy: -1.077
local terms energy: -336.436998
where:
bonds (distance) C4'-P energy: -79.989
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -78.447
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -39.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -517.135213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.135213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.135213 (E_RNA)
where:
Base-Base interactions energy: -243.094
where: short stacking energy: -131.617
Base-Backbone interact. energy: 0.895
local terms energy: -274.936641
where:
bonds (distance) C4'-P energy: -97.292
bonds (distance) P-C4' energy: -81.415
flat angles C4'-P-C4' energy: -80.255
flat angles P-C4'-P energy: -42.362
tors. eta vs tors. theta energy: 26.388
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: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1909.330663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.330663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.330663 (E_RNA)
where:
Base-Base interactions energy: -1340.700
where: short stacking energy: -576.254
Base-Backbone interact. energy: -1.898
local terms energy: -566.732648
where:
bonds (distance) C4'-P energy: -107.917
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -118.357
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: -164.283
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: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1834.457994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.457994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.457994 (E_RNA)
where:
Base-Base interactions energy: -1239.241
where: short stacking energy: -545.075
Base-Backbone interact. energy: -3.324
local terms energy: -591.893879
where:
bonds (distance) C4'-P energy: -111.475
bonds (distance) P-C4' energy: -109.073
flat angles C4'-P-C4' energy: -127.278
flat angles P-C4'-P energy: -80.258
tors. eta vs tors. theta energy: -163.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1749.335808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.335808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.335808 (E_RNA)
where:
Base-Base interactions energy: -1193.980
where: short stacking energy: -515.024
Base-Backbone interact. energy: 0.934
local terms energy: -556.289137
where:
bonds (distance) C4'-P energy: -93.284
bonds (distance) P-C4' energy: -104.526
flat angles C4'-P-C4' energy: -123.041
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -142.255
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: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1668.622597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.622597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.622597 (E_RNA)
where:
Base-Base interactions energy: -1140.001
where: short stacking energy: -497.368
Base-Backbone interact. energy: -3.692
local terms energy: -524.929748
where:
bonds (distance) C4'-P energy: -86.397
bonds (distance) P-C4' energy: -107.277
flat angles C4'-P-C4' energy: -111.174
flat angles P-C4'-P energy: -82.442
tors. eta vs tors. theta energy: -137.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1569.196723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.196723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.196723 (E_RNA)
where:
Base-Base interactions energy: -1051.735
where: short stacking energy: -472.361
Base-Backbone interact. energy: 1.115
local terms energy: -518.576823
where:
bonds (distance) C4'-P energy: -102.068
bonds (distance) P-C4' energy: -98.732
flat angles C4'-P-C4' energy: -106.428
flat angles P-C4'-P energy: -72.561
tors. eta vs tors. theta energy: -138.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1532.671773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.671773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.671773 (E_RNA)
where:
Base-Base interactions energy: -1037.111
where: short stacking energy: -440.566
Base-Backbone interact. energy: -1.034
local terms energy: -494.526274
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -104.737
flat angles P-C4'-P energy: -78.527
tors. eta vs tors. theta energy: -118.195
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: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1355.802874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.802874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.802874 (E_RNA)
where:
Base-Base interactions energy: -914.093
where: short stacking energy: -386.168
Base-Backbone interact. energy: -3.296
local terms energy: -438.413291
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -66.686
tors. eta vs tors. theta energy: -90.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1227.871934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.871934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.871934 (E_RNA)
where:
Base-Base interactions energy: -821.810
where: short stacking energy: -348.119
Base-Backbone interact. energy: -0.860
local terms energy: -405.201844
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -83.739
flat angles C4'-P-C4' energy: -87.497
flat angles P-C4'-P energy: -66.856
tors. eta vs tors. theta energy: -70.635
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: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1012.651116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.651116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.651116 (E_RNA)
where:
Base-Base interactions energy: -634.007
where: short stacking energy: -270.354
Base-Backbone interact. energy: -1.560
local terms energy: -377.084692
where:
bonds (distance) C4'-P energy: -95.844
bonds (distance) P-C4' energy: -92.278
flat angles C4'-P-C4' energy: -98.948
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -558.591512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.591512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.591512 (E_RNA)
where:
Base-Base interactions energy: -283.254
where: short stacking energy: -140.488
Base-Backbone interact. energy: -3.366
local terms energy: -271.971438
where:
bonds (distance) C4'-P energy: -75.553
bonds (distance) P-C4' energy: -92.852
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -50.101
tors. eta vs tors. theta energy: 23.201
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: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1907.965828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.965828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.965828 (E_RNA)
where:
Base-Base interactions energy: -1310.380
where: short stacking energy: -550.103
Base-Backbone interact. energy: -3.288
local terms energy: -594.298094
where:
bonds (distance) C4'-P energy: -107.193
bonds (distance) P-C4' energy: -106.693
flat angles C4'-P-C4' energy: -122.502
flat angles P-C4'-P energy: -89.675
tors. eta vs tors. theta energy: -168.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1802.047279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.047279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.047279 (E_RNA)
where:
Base-Base interactions energy: -1234.388
where: short stacking energy: -529.401
Base-Backbone interact. energy: -3.060
local terms energy: -564.598336
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -103.867
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -91.497
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: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1718.015114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.015114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.015114 (E_RNA)
where:
Base-Base interactions energy: -1184.316
where: short stacking energy: -512.840
Base-Backbone interact. energy: -1.202
local terms energy: -532.497390
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -102.687
flat angles C4'-P-C4' energy: -105.560
flat angles P-C4'-P energy: -75.433
tors. eta vs tors. theta energy: -155.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1698.361729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.361729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.361729 (E_RNA)
where:
Base-Base interactions energy: -1160.064
where: short stacking energy: -492.752
Base-Backbone interact. energy: -3.628
local terms energy: -534.669260
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -107.072
flat angles C4'-P-C4' energy: -109.696
flat angles P-C4'-P energy: -74.818
tors. eta vs tors. theta energy: -144.744
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1560.964674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.964674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.964674 (E_RNA)
where:
Base-Base interactions energy: -1073.334
where: short stacking energy: -472.569
Base-Backbone interact. energy: -2.394
local terms energy: -485.236435
where:
bonds (distance) C4'-P energy: -88.686
bonds (distance) P-C4' energy: -90.870
flat angles C4'-P-C4' energy: -103.772
flat angles P-C4'-P energy: -66.831
tors. eta vs tors. theta energy: -135.076
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: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1495.012493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.012493 (E_RNA)
where:
Base-Base interactions energy: -998.073
where: short stacking energy: -435.056
Base-Backbone interact. energy: -0.501
local terms energy: -496.438649
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -103.781
flat angles P-C4'-P energy: -80.350
tors. eta vs tors. theta energy: -113.970
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: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1341.305284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.305284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.305284 (E_RNA)
where:
Base-Base interactions energy: -918.449
where: short stacking energy: -406.282
Base-Backbone interact. energy: 4.318
local terms energy: -427.173837
where:
bonds (distance) C4'-P energy: -90.853
bonds (distance) P-C4' energy: -83.949
flat angles C4'-P-C4' energy: -96.506
flat angles P-C4'-P energy: -51.094
tors. eta vs tors. theta energy: -104.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1211.881635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.881635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.881635 (E_RNA)
where:
Base-Base interactions energy: -798.268
where: short stacking energy: -335.506
Base-Backbone interact. energy: -0.290
local terms energy: -413.324226
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -90.566
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -72.407
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: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1117.161182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.161182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.161182 (E_RNA)
where:
Base-Base interactions energy: -729.148
where: short stacking energy: -306.598
Base-Backbone interact. energy: -3.038
local terms energy: -384.975420
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -97.749
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -65.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -578.268008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.268008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.268008 (E_RNA)
where:
Base-Base interactions energy: -291.310
where: short stacking energy: -171.198
Base-Backbone interact. energy: -0.256
local terms energy: -286.702199
where:
bonds (distance) C4'-P energy: -91.571
bonds (distance) P-C4' energy: -82.929
flat angles C4'-P-C4' energy: -90.245
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: 9.315
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: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1906.168328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.168328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.168328 (E_RNA)
where:
Base-Base interactions energy: -1317.975
where: short stacking energy: -559.922
Base-Backbone interact. energy: -0.547
local terms energy: -587.646299
where:
bonds (distance) C4'-P energy: -108.804
bonds (distance) P-C4' energy: -109.282
flat angles C4'-P-C4' energy: -117.064
flat angles P-C4'-P energy: -89.368
tors. eta vs tors. theta energy: -163.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1797.899918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.899918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.899918 (E_RNA)
where:
Base-Base interactions energy: -1209.807
where: short stacking energy: -531.553
Base-Backbone interact. energy: -3.642
local terms energy: -584.451593
where:
bonds (distance) C4'-P energy: -113.513
bonds (distance) P-C4' energy: -107.443
flat angles C4'-P-C4' energy: -118.917
flat angles P-C4'-P energy: -83.685
tors. eta vs tors. theta energy: -160.894
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: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1745.860193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.860193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.860193 (E_RNA)
where:
Base-Base interactions energy: -1177.677
where: short stacking energy: -521.633
Base-Backbone interact. energy: -0.225
local terms energy: -567.958321
where:
bonds (distance) C4'-P energy: -101.611
bonds (distance) P-C4' energy: -104.782
flat angles C4'-P-C4' energy: -122.231
flat angles P-C4'-P energy: -87.658
tors. eta vs tors. theta energy: -151.677
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: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1698.306311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.306311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.306311 (E_RNA)
where:
Base-Base interactions energy: -1161.358
where: short stacking energy: -509.392
Base-Backbone interact. energy: -0.277
local terms energy: -536.671759
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -94.844
flat angles C4'-P-C4' energy: -115.291
flat angles P-C4'-P energy: -81.215
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: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1563.710697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.710697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.710697 (E_RNA)
where:
Base-Base interactions energy: -1066.790
where: short stacking energy: -446.366
Base-Backbone interact. energy: -2.020
local terms energy: -494.900059
where:
bonds (distance) C4'-P energy: -89.668
bonds (distance) P-C4' energy: -103.604
flat angles C4'-P-C4' energy: -106.646
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -120.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1541.168592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.168592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.168592 (E_RNA)
where:
Base-Base interactions energy: -1039.414
where: short stacking energy: -464.369
Base-Backbone interact. energy: 2.944
local terms energy: -504.697897
where:
bonds (distance) C4'-P energy: -99.114
bonds (distance) P-C4' energy: -101.101
flat angles C4'-P-C4' energy: -118.366
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: -122.085
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: 298
Temperature: 1.200000
Total energy: -1362.867759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.867759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.867759 (E_RNA)
where:
Base-Base interactions energy: -925.967
where: short stacking energy: -396.649
Base-Backbone interact. energy: -0.170
local terms energy: -436.730067
where:
bonds (distance) C4'-P energy: -90.292
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -71.130
tors. eta vs tors. theta energy: -85.520
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: 298
Temperature: 1.250000
Total energy: -1207.589281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.589281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.589281 (E_RNA)
where:
Base-Base interactions energy: -800.202
where: short stacking energy: -320.485
Base-Backbone interact. energy: -0.846
local terms energy: -406.541101
where:
bonds (distance) C4'-P energy: -90.609
bonds (distance) P-C4' energy: -115.039
flat angles C4'-P-C4' energy: -78.365
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -67.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1090.954321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.954321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.954321 (E_RNA)
where:
Base-Base interactions energy: -702.668
where: short stacking energy: -305.985
Base-Backbone interact. energy: -2.419
local terms energy: -385.867177
where:
bonds (distance) C4'-P energy: -68.870
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -102.550
flat angles P-C4'-P energy: -50.844
tors. eta vs tors. theta energy: -60.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -614.653969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.653969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.653969 (E_RNA)
where:
Base-Base interactions energy: -324.182
where: short stacking energy: -178.857
Base-Backbone interact. energy: -2.441
local terms energy: -288.031254
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -92.968
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -33.108
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1871.389029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.389029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.389029 (E_RNA)
where:
Base-Base interactions energy: -1278.511
where: short stacking energy: -555.074
Base-Backbone interact. energy: -3.736
local terms energy: -589.142521
where:
bonds (distance) C4'-P energy: -112.741
bonds (distance) P-C4' energy: -101.718
flat angles C4'-P-C4' energy: -125.654
flat angles P-C4'-P energy: -90.592
tors. eta vs tors. theta energy: -158.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1792.405661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.405661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.405661 (E_RNA)
where:
Base-Base interactions energy: -1229.580
where: short stacking energy: -543.700
Base-Backbone interact. energy: 1.102
local terms energy: -563.927614
where:
bonds (distance) C4'-P energy: -109.799
bonds (distance) P-C4' energy: -93.399
flat angles C4'-P-C4' energy: -119.647
flat angles P-C4'-P energy: -73.736
tors. eta vs tors. theta energy: -167.348
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1719.334816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.334816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.334816 (E_RNA)
where:
Base-Base interactions energy: -1160.507
where: short stacking energy: -502.593
Base-Backbone interact. energy: -3.833
local terms energy: -554.995005
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -116.578
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -76.487
tors. eta vs tors. theta energy: -150.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1720.483645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.483645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.483645 (E_RNA)
where:
Base-Base interactions energy: -1193.679
where: short stacking energy: -512.728
Base-Backbone interact. energy: 2.708
local terms energy: -529.512595
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -88.391
flat angles C4'-P-C4' energy: -126.204
flat angles P-C4'-P energy: -73.203
tors. eta vs tors. theta energy: -136.395
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: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1584.199406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.199406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.199406 (E_RNA)
where:
Base-Base interactions energy: -1098.811
where: short stacking energy: -464.316
Base-Backbone interact. energy: -1.245
local terms energy: -484.142822
where:
bonds (distance) C4'-P energy: -87.633
bonds (distance) P-C4' energy: -86.558
flat angles C4'-P-C4' energy: -109.317
flat angles P-C4'-P energy: -74.587
tors. eta vs tors. theta energy: -126.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1509.503408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.503408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.503408 (E_RNA)
where:
Base-Base interactions energy: -1028.855
where: short stacking energy: -459.081
Base-Backbone interact. energy: 0.732
local terms energy: -481.380636
where:
bonds (distance) C4'-P energy: -89.166
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -98.194
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -123.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1392.699651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.699651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.699651 (E_RNA)
where:
Base-Base interactions energy: -971.089
where: short stacking energy: -388.632
Base-Backbone interact. energy: -1.227
local terms energy: -420.383364
where:
bonds (distance) C4'-P energy: -79.710
bonds (distance) P-C4' energy: -83.037
flat angles C4'-P-C4' energy: -105.489
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: -94.967
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: 299
Temperature: 1.250000
Total energy: -1220.420571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.420571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.420571 (E_RNA)
where:
Base-Base interactions energy: -812.026
where: short stacking energy: -332.723
Base-Backbone interact. energy: 1.118
local terms energy: -409.512504
where:
bonds (distance) C4'-P energy: -95.125
bonds (distance) P-C4' energy: -96.171
flat angles C4'-P-C4' energy: -95.463
flat angles P-C4'-P energy: -53.950
tors. eta vs tors. theta energy: -68.803
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: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1123.063984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.063984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.063984 (E_RNA)
where:
Base-Base interactions energy: -736.215
where: short stacking energy: -305.753
Base-Backbone interact. energy: 4.316
local terms energy: -391.164318
where:
bonds (distance) C4'-P energy: -86.934
bonds (distance) P-C4' energy: -85.982
flat angles C4'-P-C4' energy: -103.190
flat angles P-C4'-P energy: -58.067
tors. eta vs tors. theta energy: -56.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -652.857980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.857980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.857980 (E_RNA)
where:
Base-Base interactions energy: -342.041
where: short stacking energy: -196.795
Base-Backbone interact. energy: -2.398
local terms energy: -308.418754
where:
bonds (distance) C4'-P energy: -82.970
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -25.547
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: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1898.975435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.975435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.975435 (E_RNA)
where:
Base-Base interactions energy: -1287.779
where: short stacking energy: -564.182
Base-Backbone interact. energy: -3.519
local terms energy: -607.677905
where:
bonds (distance) C4'-P energy: -110.397
bonds (distance) P-C4' energy: -121.351
flat angles C4'-P-C4' energy: -121.943
flat angles P-C4'-P energy: -79.733
tors. eta vs tors. theta energy: -174.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1793.374437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.374437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.374437 (E_RNA)
where:
Base-Base interactions energy: -1224.843
where: short stacking energy: -534.562
Base-Backbone interact. energy: -1.614
local terms energy: -566.917583
where:
bonds (distance) C4'-P energy: -104.504
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -120.539
flat angles P-C4'-P energy: -81.135
tors. eta vs tors. theta energy: -155.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1758.208605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.208605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.208605 (E_RNA)
where:
Base-Base interactions energy: -1172.975
where: short stacking energy: -503.879
Base-Backbone interact. energy: -0.799
local terms energy: -584.434704
where:
bonds (distance) C4'-P energy: -107.752
bonds (distance) P-C4' energy: -119.215
flat angles C4'-P-C4' energy: -120.511
flat angles P-C4'-P energy: -88.159
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: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1696.752030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.752030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.752030 (E_RNA)
where:
Base-Base interactions energy: -1152.710
where: short stacking energy: -504.516
Base-Backbone interact. energy: -2.035
local terms energy: -542.006982
where:
bonds (distance) C4'-P energy: -108.526
bonds (distance) P-C4' energy: -106.815
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -70.928
tors. eta vs tors. theta energy: -147.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1620.703114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.703114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.703114 (E_RNA)
where:
Base-Base interactions energy: -1091.984
where: short stacking energy: -471.985
Base-Backbone interact. energy: -2.165
local terms energy: -526.553939
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -104.988
flat angles P-C4'-P energy: -85.316
tors. eta vs tors. theta energy: -136.927
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: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1506.964888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.964888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.964888 (E_RNA)
where:
Base-Base interactions energy: -1011.023
where: short stacking energy: -430.855
Base-Backbone interact. energy: 0.183
local terms energy: -496.125636
where:
bonds (distance) C4'-P energy: -81.424
bonds (distance) P-C4' energy: -109.621
flat angles C4'-P-C4' energy: -116.440
flat angles P-C4'-P energy: -69.813
tors. eta vs tors. theta energy: -118.827
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: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1374.850039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.850039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.850039 (E_RNA)
where:
Base-Base interactions energy: -933.978
where: short stacking energy: -401.664
Base-Backbone interact. energy: -0.598
local terms energy: -440.273837
where:
bonds (distance) C4'-P energy: -93.334
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -98.961
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: -96.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1211.098698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.098698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.098698 (E_RNA)
where:
Base-Base interactions energy: -776.662
where: short stacking energy: -319.909
Base-Backbone interact. energy: -2.012
local terms energy: -432.424874
where:
bonds (distance) C4'-P energy: -90.787
bonds (distance) P-C4' energy: -94.941
flat angles C4'-P-C4' energy: -92.663
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -85.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1098.129008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.129008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.129008 (E_RNA)
where:
Base-Base interactions energy: -725.612
where: short stacking energy: -325.186
Base-Backbone interact. energy: -0.117
local terms energy: -372.400358
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -88.338
flat angles C4'-P-C4' energy: -93.131
flat angles P-C4'-P energy: -41.622
tors. eta vs tors. theta energy: -70.845
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: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -635.324367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.324367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.324367 (E_RNA)
where:
Base-Base interactions energy: -337.282
where: short stacking energy: -188.403
Base-Backbone interact. energy: 0.506
local terms energy: -298.548750
where:
bonds (distance) C4'-P energy: -82.139
bonds (distance) P-C4' energy: -83.048
flat angles C4'-P-C4' energy: -75.494
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1876.676767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.676767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.676767 (E_RNA)
where:
Base-Base interactions energy: -1287.260
where: short stacking energy: -563.223
Base-Backbone interact. energy: -3.164
local terms energy: -586.252424
where:
bonds (distance) C4'-P energy: -110.665
bonds (distance) P-C4' energy: -98.514
flat angles C4'-P-C4' energy: -128.713
flat angles P-C4'-P energy: -79.508
tors. eta vs tors. theta energy: -168.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1801.823998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.823998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.823998 (E_RNA)
where:
Base-Base interactions energy: -1224.420
where: short stacking energy: -538.775
Base-Backbone interact. energy: -1.267
local terms energy: -576.136922
where:
bonds (distance) C4'-P energy: -108.505
bonds (distance) P-C4' energy: -107.245
flat angles C4'-P-C4' energy: -123.638
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -152.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1724.049086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.049086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.049086 (E_RNA)
where:
Base-Base interactions energy: -1185.284
where: short stacking energy: -512.889
Base-Backbone interact. energy: -2.267
local terms energy: -536.498001
where:
bonds (distance) C4'-P energy: -94.926
bonds (distance) P-C4' energy: -100.595
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -150.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1678.961895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.961895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.961895 (E_RNA)
where:
Base-Base interactions energy: -1141.232
where: short stacking energy: -504.640
Base-Backbone interact. energy: -0.039
local terms energy: -537.691266
where:
bonds (distance) C4'-P energy: -98.731
bonds (distance) P-C4' energy: -102.304
flat angles C4'-P-C4' energy: -113.263
flat angles P-C4'-P energy: -76.757
tors. eta vs tors. theta energy: -146.636
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1590.998144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.998144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.998144 (E_RNA)
where:
Base-Base interactions energy: -1078.043
where: short stacking energy: -475.781
Base-Backbone interact. energy: -0.394
local terms energy: -512.561067
where:
bonds (distance) C4'-P energy: -109.445
bonds (distance) P-C4' energy: -103.171
flat angles C4'-P-C4' energy: -108.855
flat angles P-C4'-P energy: -60.309
tors. eta vs tors. theta energy: -130.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1545.388872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.388872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.388872 (E_RNA)
where:
Base-Base interactions energy: -1059.743
where: short stacking energy: -442.792
Base-Backbone interact. energy: -1.545
local terms energy: -484.100941
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -100.280
flat angles C4'-P-C4' energy: -116.511
flat angles P-C4'-P energy: -65.941
tors. eta vs tors. theta energy: -121.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1403.235017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.235017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.235017 (E_RNA)
where:
Base-Base interactions energy: -969.312
where: short stacking energy: -400.220
Base-Backbone interact. energy: 0.154
local terms energy: -434.076648
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -93.528
flat angles C4'-P-C4' energy: -104.907
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: -94.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1238.225190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.225190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.225190 (E_RNA)
where:
Base-Base interactions energy: -820.426
where: short stacking energy: -356.966
Base-Backbone interact. energy: -0.564
local terms energy: -417.235148
where:
bonds (distance) C4'-P energy: -73.884
bonds (distance) P-C4' energy: -95.883
flat angles C4'-P-C4' energy: -104.391
flat angles P-C4'-P energy: -66.716
tors. eta vs tors. theta energy: -76.361
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: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1118.270159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.270159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.270159 (E_RNA)
where:
Base-Base interactions energy: -738.828
where: short stacking energy: -322.013
Base-Backbone interact. energy: -0.527
local terms energy: -378.915597
where:
bonds (distance) C4'-P energy: -73.288
bonds (distance) P-C4' energy: -92.725
flat angles C4'-P-C4' energy: -93.369
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -61.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -656.027592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.027592 (E_RNA)
where:
Base-Base interactions energy: -346.418
where: short stacking energy: -168.227
Base-Backbone interact. energy: 0.570
local terms energy: -310.179817
where:
bonds (distance) C4'-P energy: -86.562
bonds (distance) P-C4' energy: -90.955
flat angles C4'-P-C4' energy: -74.966
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -10.943
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: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1856.129517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.129517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.129517 (E_RNA)
where:
Base-Base interactions energy: -1266.829
where: short stacking energy: -546.813
Base-Backbone interact. energy: -3.153
local terms energy: -586.147862
where:
bonds (distance) C4'-P energy: -110.854
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -120.269
flat angles P-C4'-P energy: -89.723
tors. eta vs tors. theta energy: -160.548
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: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1833.075011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.075011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.075011 (E_RNA)
where:
Base-Base interactions energy: -1258.726
where: short stacking energy: -567.276
Base-Backbone interact. energy: -1.049
local terms energy: -573.299832
where:
bonds (distance) C4'-P energy: -90.902
bonds (distance) P-C4' energy: -114.051
flat angles C4'-P-C4' energy: -122.265
flat angles P-C4'-P energy: -76.775
tors. eta vs tors. theta energy: -169.307
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: 302
Temperature: 1.000000
Total energy: -1745.137461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.137461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.137461 (E_RNA)
where:
Base-Base interactions energy: -1184.311
where: short stacking energy: -527.338
Base-Backbone interact. energy: -2.156
local terms energy: -558.669801
where:
bonds (distance) C4'-P energy: -102.038
bonds (distance) P-C4' energy: -100.981
flat angles C4'-P-C4' energy: -116.026
flat angles P-C4'-P energy: -80.423
tors. eta vs tors. theta energy: -159.201
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1700.928744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.928744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.928744 (E_RNA)
where:
Base-Base interactions energy: -1153.494
where: short stacking energy: -510.179
Base-Backbone interact. energy: -1.703
local terms energy: -545.731752
where:
bonds (distance) C4'-P energy: -100.764
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -123.020
flat angles P-C4'-P energy: -76.969
tors. eta vs tors. theta energy: -149.033
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: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1568.307010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.307010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.307010 (E_RNA)
where:
Base-Base interactions energy: -1077.649
where: short stacking energy: -491.420
Base-Backbone interact. energy: -2.223
local terms energy: -488.434862
where:
bonds (distance) C4'-P energy: -88.213
bonds (distance) P-C4' energy: -85.904
flat angles C4'-P-C4' energy: -107.451
flat angles P-C4'-P energy: -69.633
tors. eta vs tors. theta energy: -137.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1572.137111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.137111 (E_RNA)
where:
Base-Base interactions energy: -1069.073
where: short stacking energy: -467.582
Base-Backbone interact. energy: 0.047
local terms energy: -503.111514
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -92.878
flat angles C4'-P-C4' energy: -104.355
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: -138.518
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1414.523750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.523750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.523750 (E_RNA)
where:
Base-Base interactions energy: -950.619
where: short stacking energy: -389.613
Base-Backbone interact. energy: -1.428
local terms energy: -462.476423
where:
bonds (distance) C4'-P energy: -101.432
bonds (distance) P-C4' energy: -93.012
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -63.284
tors. eta vs tors. theta energy: -107.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1166.842358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.842358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.842358 (E_RNA)
where:
Base-Base interactions energy: -760.780
where: short stacking energy: -320.427
Base-Backbone interact. energy: 5.076
local terms energy: -411.138502
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -100.461
flat angles C4'-P-C4' energy: -90.383
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -58.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1079.215471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.215471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.215471 (E_RNA)
where:
Base-Base interactions energy: -709.046
where: short stacking energy: -303.404
Base-Backbone interact. energy: -1.379
local terms energy: -368.790290
where:
bonds (distance) C4'-P energy: -82.716
bonds (distance) P-C4' energy: -98.259
flat angles C4'-P-C4' energy: -71.826
flat angles P-C4'-P energy: -63.849
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -655.085250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.085250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.085250 (E_RNA)
where:
Base-Base interactions energy: -363.956
where: short stacking energy: -183.783
Base-Backbone interact. energy: 1.535
local terms energy: -292.663485
where:
bonds (distance) C4'-P energy: -84.986
bonds (distance) P-C4' energy: -84.988
flat angles C4'-P-C4' energy: -76.033
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: 7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1880.360481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.360481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.360481 (E_RNA)
where:
Base-Base interactions energy: -1284.086
where: short stacking energy: -551.272
Base-Backbone interact. energy: -0.251
local terms energy: -596.023523
where:
bonds (distance) C4'-P energy: -104.217
bonds (distance) P-C4' energy: -111.551
flat angles C4'-P-C4' energy: -127.267
flat angles P-C4'-P energy: -88.391
tors. eta vs tors. theta energy: -164.597
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: 303
Temperature: 0.950000
Total energy: -1858.881535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.881535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.881535 (E_RNA)
where:
Base-Base interactions energy: -1271.680
where: short stacking energy: -565.806
Base-Backbone interact. energy: -2.093
local terms energy: -585.108477
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -124.923
flat angles P-C4'-P energy: -75.540
tors. eta vs tors. theta energy: -171.717
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: 303
Temperature: 1.000000
Total energy: -1770.934776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.934776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.934776 (E_RNA)
where:
Base-Base interactions energy: -1219.185
where: short stacking energy: -532.038
Base-Backbone interact. energy: -2.279
local terms energy: -549.470643
where:
bonds (distance) C4'-P energy: -92.343
bonds (distance) P-C4' energy: -102.084
flat angles C4'-P-C4' energy: -114.584
flat angles P-C4'-P energy: -79.939
tors. eta vs tors. theta energy: -160.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1669.873264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.873264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.873264 (E_RNA)
where:
Base-Base interactions energy: -1149.012
where: short stacking energy: -488.142
Base-Backbone interact. energy: -0.552
local terms energy: -520.308548
where:
bonds (distance) C4'-P energy: -98.976
bonds (distance) P-C4' energy: -97.915
flat angles C4'-P-C4' energy: -111.678
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: -134.932
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1602.847421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.847421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.847421 (E_RNA)
where:
Base-Base interactions energy: -1114.810
where: short stacking energy: -499.822
Base-Backbone interact. energy: -1.825
local terms energy: -486.212323
where:
bonds (distance) C4'-P energy: -90.663
bonds (distance) P-C4' energy: -94.755
flat angles C4'-P-C4' energy: -105.060
flat angles P-C4'-P energy: -59.721
tors. eta vs tors. theta energy: -136.013
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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1531.041306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.041306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.041306 (E_RNA)
where:
Base-Base interactions energy: -1035.842
where: short stacking energy: -467.111
Base-Backbone interact. energy: -0.769
local terms energy: -494.430734
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -93.185
flat angles C4'-P-C4' energy: -97.471
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -128.539
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1391.956133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.956133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.956133 (E_RNA)
where:
Base-Base interactions energy: -939.335
where: short stacking energy: -404.147
Base-Backbone interact. energy: 3.748
local terms energy: -456.368770
where:
bonds (distance) C4'-P energy: -76.828
bonds (distance) P-C4' energy: -98.612
flat angles C4'-P-C4' energy: -108.084
flat angles P-C4'-P energy: -59.811
tors. eta vs tors. theta energy: -113.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1165.386837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.386837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.386837 (E_RNA)
where:
Base-Base interactions energy: -759.390
where: short stacking energy: -336.143
Base-Backbone interact. energy: 2.195
local terms energy: -408.191137
where:
bonds (distance) C4'-P energy: -83.033
bonds (distance) P-C4' energy: -90.232
flat angles C4'-P-C4' energy: -97.240
flat angles P-C4'-P energy: -62.850
tors. eta vs tors. theta energy: -74.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1124.604570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.604570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.604570 (E_RNA)
where:
Base-Base interactions energy: -710.757
where: short stacking energy: -303.446
Base-Backbone interact. energy: 2.647
local terms energy: -416.494624
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -87.519
flat angles P-C4'-P energy: -60.841
tors. eta vs tors. theta energy: -65.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -617.346866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.346866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.346866 (E_RNA)
where:
Base-Base interactions energy: -303.002
where: short stacking energy: -164.474
Base-Backbone interact. energy: -1.515
local terms energy: -312.830722
where:
bonds (distance) C4'-P energy: -80.877
bonds (distance) P-C4' energy: -89.869
flat angles C4'-P-C4' energy: -84.690
flat angles P-C4'-P energy: -56.389
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1885.691768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.691768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.691768 (E_RNA)
where:
Base-Base interactions energy: -1286.852
where: short stacking energy: -550.017
Base-Backbone interact. energy: -1.718
local terms energy: -597.121832
where:
bonds (distance) C4'-P energy: -109.292
bonds (distance) P-C4' energy: -110.235
flat angles C4'-P-C4' energy: -125.571
flat angles P-C4'-P energy: -90.666
tors. eta vs tors. theta energy: -161.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1802.249456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.249456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.249456 (E_RNA)
where:
Base-Base interactions energy: -1213.081
where: short stacking energy: -534.610
Base-Backbone interact. energy: -2.794
local terms energy: -586.374616
where:
bonds (distance) C4'-P energy: -108.038
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -123.165
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -169.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1744.895417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.895417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.895417 (E_RNA)
where:
Base-Base interactions energy: -1191.020
where: short stacking energy: -508.917
Base-Backbone interact. energy: -1.845
local terms energy: -552.030339
where:
bonds (distance) C4'-P energy: -107.696
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -125.924
flat angles P-C4'-P energy: -79.611
tors. eta vs tors. theta energy: -148.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1671.623792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.623792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.623792 (E_RNA)
where:
Base-Base interactions energy: -1135.988
where: short stacking energy: -507.841
Base-Backbone interact. energy: 5.153
local terms energy: -540.788555
where:
bonds (distance) C4'-P energy: -100.474
bonds (distance) P-C4' energy: -101.621
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -85.654
tors. eta vs tors. theta energy: -145.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1574.492586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.492586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.492586 (E_RNA)
where:
Base-Base interactions energy: -1050.286
where: short stacking energy: -442.996
Base-Backbone interact. energy: -1.760
local terms energy: -522.446228
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -106.410
flat angles C4'-P-C4' energy: -101.982
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -138.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1555.097485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.097485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.097485 (E_RNA)
where:
Base-Base interactions energy: -1050.523
where: short stacking energy: -431.199
Base-Backbone interact. energy: -1.000
local terms energy: -503.574290
where:
bonds (distance) C4'-P energy: -95.059
bonds (distance) P-C4' energy: -93.497
flat angles C4'-P-C4' energy: -113.080
flat angles P-C4'-P energy: -78.537
tors. eta vs tors. theta energy: -123.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1396.004077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.004077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.004077 (E_RNA)
where:
Base-Base interactions energy: -944.967
where: short stacking energy: -405.410
Base-Backbone interact. energy: -0.067
local terms energy: -450.970226
where:
bonds (distance) C4'-P energy: -89.485
bonds (distance) P-C4' energy: -94.105
flat angles C4'-P-C4' energy: -105.628
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -113.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1241.499888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.499888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.499888 (E_RNA)
where:
Base-Base interactions energy: -828.221
where: short stacking energy: -371.537
Base-Backbone interact. energy: -2.242
local terms energy: -411.036694
where:
bonds (distance) C4'-P energy: -84.099
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -93.359
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -86.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1106.281813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.281813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.281813 (E_RNA)
where:
Base-Base interactions energy: -734.879
where: short stacking energy: -306.277
Base-Backbone interact. energy: 7.594
local terms energy: -378.996344
where:
bonds (distance) C4'-P energy: -79.421
bonds (distance) P-C4' energy: -81.827
flat angles C4'-P-C4' energy: -98.701
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -66.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -629.676465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.676465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.676465 (E_RNA)
where:
Base-Base interactions energy: -302.505
where: short stacking energy: -178.862
Base-Backbone interact. energy: 3.478
local terms energy: -330.649149
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -94.858
flat angles C4'-P-C4' energy: -82.171
flat angles P-C4'-P energy: -52.856
tors. eta vs tors. theta energy: -14.909
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: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1888.734725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.734725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.734725 (E_RNA)
where:
Base-Base interactions energy: -1314.252
where: short stacking energy: -576.253
Base-Backbone interact. energy: -1.086
local terms energy: -573.396389
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -95.599
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -69.973
tors. eta vs tors. theta energy: -174.119
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: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1801.930621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.930621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.930621 (E_RNA)
where:
Base-Base interactions energy: -1244.267
where: short stacking energy: -533.575
Base-Backbone interact. energy: -0.800
local terms energy: -556.863697
where:
bonds (distance) C4'-P energy: -112.240
bonds (distance) P-C4' energy: -90.896
flat angles C4'-P-C4' energy: -115.855
flat angles P-C4'-P energy: -79.663
tors. eta vs tors. theta energy: -158.209
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1767.236230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.236230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.236230 (E_RNA)
where:
Base-Base interactions energy: -1203.100
where: short stacking energy: -532.832
Base-Backbone interact. energy: -0.917
local terms energy: -563.219100
where:
bonds (distance) C4'-P energy: -98.935
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -125.163
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -158.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1714.512298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.512298 (E_RNA)
where:
Base-Base interactions energy: -1178.465
where: short stacking energy: -536.426
Base-Backbone interact. energy: -1.557
local terms energy: -534.489882
where:
bonds (distance) C4'-P energy: -92.959
bonds (distance) P-C4' energy: -85.618
flat angles C4'-P-C4' energy: -124.683
flat angles P-C4'-P energy: -79.889
tors. eta vs tors. theta energy: -151.341
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: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1578.657141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.657141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.657141 (E_RNA)
where:
Base-Base interactions energy: -1074.076
where: short stacking energy: -469.498
Base-Backbone interact. energy: -1.557
local terms energy: -503.024334
where:
bonds (distance) C4'-P energy: -97.101
bonds (distance) P-C4' energy: -104.052
flat angles C4'-P-C4' energy: -105.610
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -125.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1561.041909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.041909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.041909 (E_RNA)
where:
Base-Base interactions energy: -1066.457
where: short stacking energy: -453.709
Base-Backbone interact. energy: -0.217
local terms energy: -494.368707
where:
bonds (distance) C4'-P energy: -102.275
bonds (distance) P-C4' energy: -92.028
flat angles C4'-P-C4' energy: -107.540
flat angles P-C4'-P energy: -69.063
tors. eta vs tors. theta energy: -123.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1316.275010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.275010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.275010 (E_RNA)
where:
Base-Base interactions energy: -866.416
where: short stacking energy: -375.002
Base-Backbone interact. energy: -1.216
local terms energy: -448.643323
where:
bonds (distance) C4'-P energy: -91.309
bonds (distance) P-C4' energy: -86.085
flat angles C4'-P-C4' energy: -101.607
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -90.923
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: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1243.885330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.885330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.885330 (E_RNA)
where:
Base-Base interactions energy: -806.876
where: short stacking energy: -337.672
Base-Backbone interact. energy: -0.028
local terms energy: -436.980781
where:
bonds (distance) C4'-P energy: -110.833
bonds (distance) P-C4' energy: -92.317
flat angles C4'-P-C4' energy: -85.453
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -76.706
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: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -969.297553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.297553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.297553 (E_RNA)
where:
Base-Base interactions energy: -614.092
where: short stacking energy: -263.523
Base-Backbone interact. energy: 2.381
local terms energy: -357.586102
where:
bonds (distance) C4'-P energy: -83.752
bonds (distance) P-C4' energy: -80.154
flat angles C4'-P-C4' energy: -86.258
flat angles P-C4'-P energy: -60.962
tors. eta vs tors. theta energy: -46.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -623.924341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.924341 (E_RNA)
where:
Base-Base interactions energy: -318.202
where: short stacking energy: -182.734
Base-Backbone interact. energy: -0.922
local terms energy: -304.800530
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -87.046
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -5.940
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: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1854.498691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.498691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.498691 (E_RNA)
where:
Base-Base interactions energy: -1265.419
where: short stacking energy: -557.457
Base-Backbone interact. energy: -1.624
local terms energy: -587.455729
where:
bonds (distance) C4'-P energy: -108.463
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -123.010
flat angles P-C4'-P energy: -80.254
tors. eta vs tors. theta energy: -163.739
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: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1807.561015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.561015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.561015 (E_RNA)
where:
Base-Base interactions energy: -1242.539
where: short stacking energy: -535.103
Base-Backbone interact. energy: -2.690
local terms energy: -562.331660
where:
bonds (distance) C4'-P energy: -105.781
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -118.590
flat angles P-C4'-P energy: -82.813
tors. eta vs tors. theta energy: -159.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1769.128814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.128814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.128814 (E_RNA)
where:
Base-Base interactions energy: -1206.982
where: short stacking energy: -525.399
Base-Backbone interact. energy: -3.844
local terms energy: -558.302987
where:
bonds (distance) C4'-P energy: -105.431
bonds (distance) P-C4' energy: -102.948
flat angles C4'-P-C4' energy: -112.131
flat angles P-C4'-P energy: -80.420
tors. eta vs tors. theta energy: -157.373
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1691.266590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.266590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.266590 (E_RNA)
where:
Base-Base interactions energy: -1132.190
where: short stacking energy: -516.833
Base-Backbone interact. energy: -0.141
local terms energy: -558.935882
where:
bonds (distance) C4'-P energy: -116.415
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -126.404
flat angles P-C4'-P energy: -69.761
tors. eta vs tors. theta energy: -145.279
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: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1580.366136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.366136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.366136 (E_RNA)
where:
Base-Base interactions energy: -1085.552
where: short stacking energy: -454.808
Base-Backbone interact. energy: -1.886
local terms energy: -492.928307
where:
bonds (distance) C4'-P energy: -84.263
bonds (distance) P-C4' energy: -114.479
flat angles C4'-P-C4' energy: -104.750
flat angles P-C4'-P energy: -58.006
tors. eta vs tors. theta energy: -131.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1507.664551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.664551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.664551 (E_RNA)
where:
Base-Base interactions energy: -1024.719
where: short stacking energy: -447.877
Base-Backbone interact. energy: 1.179
local terms energy: -484.124953
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -83.403
flat angles C4'-P-C4' energy: -97.794
flat angles P-C4'-P energy: -79.559
tors. eta vs tors. theta energy: -125.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1309.332009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.332009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.332009 (E_RNA)
where:
Base-Base interactions energy: -864.240
where: short stacking energy: -364.644
Base-Backbone interact. energy: -1.496
local terms energy: -443.595356
where:
bonds (distance) C4'-P energy: -82.432
bonds (distance) P-C4' energy: -107.531
flat angles C4'-P-C4' energy: -106.595
flat angles P-C4'-P energy: -63.248
tors. eta vs tors. theta energy: -83.789
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1197.658632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.658632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.658632 (E_RNA)
where:
Base-Base interactions energy: -762.563
where: short stacking energy: -332.892
Base-Backbone interact. energy: -0.840
local terms energy: -434.256122
where:
bonds (distance) C4'-P energy: -109.088
bonds (distance) P-C4' energy: -89.212
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -63.944
tors. eta vs tors. theta energy: -71.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -996.212269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.212269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.212269 (E_RNA)
where:
Base-Base interactions energy: -640.198
where: short stacking energy: -286.467
Base-Backbone interact. energy: 0.344
local terms energy: -356.357538
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -104.132
flat angles C4'-P-C4' energy: -76.141
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -49.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -682.685057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.685057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.685057 (E_RNA)
where:
Base-Base interactions energy: -366.201
where: short stacking energy: -185.294
Base-Backbone interact. energy: -2.200
local terms energy: -314.283634
where:
bonds (distance) C4'-P energy: -67.100
bonds (distance) P-C4' energy: -110.127
flat angles C4'-P-C4' energy: -89.088
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1860.331971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.331971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.331971 (E_RNA)
where:
Base-Base interactions energy: -1283.324
where: short stacking energy: -573.569
Base-Backbone interact. energy: -2.099
local terms energy: -574.908864
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -114.148
flat angles C4'-P-C4' energy: -117.305
flat angles P-C4'-P energy: -77.921
tors. eta vs tors. theta energy: -162.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1825.078625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.078625 (E_RNA)
where:
Base-Base interactions energy: -1252.595
where: short stacking energy: -546.004
Base-Backbone interact. energy: 1.062
local terms energy: -573.545249
where:
bonds (distance) C4'-P energy: -101.196
bonds (distance) P-C4' energy: -101.331
flat angles C4'-P-C4' energy: -120.917
flat angles P-C4'-P energy: -87.427
tors. eta vs tors. theta energy: -162.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1743.963461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.963461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.963461 (E_RNA)
where:
Base-Base interactions energy: -1185.356
where: short stacking energy: -486.527
Base-Backbone interact. energy: -1.392
local terms energy: -557.216149
where:
bonds (distance) C4'-P energy: -108.438
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -114.491
flat angles P-C4'-P energy: -74.004
tors. eta vs tors. theta energy: -149.125
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: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1694.261747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.261747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.261747 (E_RNA)
where:
Base-Base interactions energy: -1161.051
where: short stacking energy: -500.402
Base-Backbone interact. energy: -0.803
local terms energy: -532.407118
where:
bonds (distance) C4'-P energy: -96.569
bonds (distance) P-C4' energy: -99.188
flat angles C4'-P-C4' energy: -116.140
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -144.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1598.305137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.305137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.305137 (E_RNA)
where:
Base-Base interactions energy: -1078.817
where: short stacking energy: -466.610
Base-Backbone interact. energy: -0.199
local terms energy: -519.289243
where:
bonds (distance) C4'-P energy: -101.891
bonds (distance) P-C4' energy: -93.910
flat angles C4'-P-C4' energy: -108.349
flat angles P-C4'-P energy: -79.784
tors. eta vs tors. theta energy: -135.355
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: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1551.195339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.195339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.195339 (E_RNA)
where:
Base-Base interactions energy: -1065.077
where: short stacking energy: -454.544
Base-Backbone interact. energy: -0.200
local terms energy: -485.918974
where:
bonds (distance) C4'-P energy: -73.433
bonds (distance) P-C4' energy: -92.802
flat angles C4'-P-C4' energy: -108.831
flat angles P-C4'-P energy: -66.538
tors. eta vs tors. theta energy: -144.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1349.514862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.514862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.514862 (E_RNA)
where:
Base-Base interactions energy: -895.320
where: short stacking energy: -376.148
Base-Backbone interact. energy: -2.741
local terms energy: -451.453490
where:
bonds (distance) C4'-P energy: -87.638
bonds (distance) P-C4' energy: -103.111
flat angles C4'-P-C4' energy: -93.053
flat angles P-C4'-P energy: -56.618
tors. eta vs tors. theta energy: -111.034
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: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1214.647814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.647814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.647814 (E_RNA)
where:
Base-Base interactions energy: -817.918
where: short stacking energy: -345.124
Base-Backbone interact. energy: -1.633
local terms energy: -395.096757
where:
bonds (distance) C4'-P energy: -74.875
bonds (distance) P-C4' energy: -88.728
flat angles C4'-P-C4' energy: -94.651
flat angles P-C4'-P energy: -52.408
tors. eta vs tors. theta energy: -84.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -984.550429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.550429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.550429 (E_RNA)
where:
Base-Base interactions energy: -640.815
where: short stacking energy: -275.685
Base-Backbone interact. energy: -4.249
local terms energy: -339.486573
where:
bonds (distance) C4'-P energy: -68.432
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -50.500
tors. eta vs tors. theta energy: -46.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -696.300633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.300633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.300633 (E_RNA)
where:
Base-Base interactions energy: -364.992
where: short stacking energy: -176.506
Base-Backbone interact. energy: 0.253
local terms energy: -331.561772
where:
bonds (distance) C4'-P energy: -96.728
bonds (distance) P-C4' energy: -80.730
flat angles C4'-P-C4' energy: -107.156
flat angles P-C4'-P energy: -49.474
tors. eta vs tors. theta energy: 2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1865.013797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.013797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.013797 (E_RNA)
where:
Base-Base interactions energy: -1263.986
where: short stacking energy: -565.789
Base-Backbone interact. energy: -1.643
local terms energy: -599.384409
where:
bonds (distance) C4'-P energy: -111.790
bonds (distance) P-C4' energy: -121.651
flat angles C4'-P-C4' energy: -123.640
flat angles P-C4'-P energy: -81.845
tors. eta vs tors. theta energy: -160.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1791.084300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.084300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.084300 (E_RNA)
where:
Base-Base interactions energy: -1217.924
where: short stacking energy: -552.367
Base-Backbone interact. energy: -1.512
local terms energy: -571.647994
where:
bonds (distance) C4'-P energy: -105.549
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -105.391
flat angles P-C4'-P energy: -84.959
tors. eta vs tors. theta energy: -169.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1738.223391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.223391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.223391 (E_RNA)
where:
Base-Base interactions energy: -1170.023
where: short stacking energy: -520.992
Base-Backbone interact. energy: -0.378
local terms energy: -567.822889
where:
bonds (distance) C4'-P energy: -99.199
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -120.799
flat angles P-C4'-P energy: -88.899
tors. eta vs tors. theta energy: -145.315
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: 308
Temperature: 1.050000
Total energy: -1688.047476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.047476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.047476 (E_RNA)
where:
Base-Base interactions energy: -1123.349
where: short stacking energy: -494.759
Base-Backbone interact. energy: -1.528
local terms energy: -563.170945
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -113.117
flat angles C4'-P-C4' energy: -117.689
flat angles P-C4'-P energy: -79.777
tors. eta vs tors. theta energy: -152.359
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1581.527323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.527323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.527323 (E_RNA)
where:
Base-Base interactions energy: -1057.622
where: short stacking energy: -471.848
Base-Backbone interact. energy: 0.476
local terms energy: -524.381513
where:
bonds (distance) C4'-P energy: -105.559
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -119.537
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: -130.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1537.248664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.248664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.248664 (E_RNA)
where:
Base-Base interactions energy: -1048.914
where: short stacking energy: -456.170
Base-Backbone interact. energy: -1.563
local terms energy: -486.771819
where:
bonds (distance) C4'-P energy: -100.066
bonds (distance) P-C4' energy: -99.653
flat angles C4'-P-C4' energy: -87.548
flat angles P-C4'-P energy: -69.713
tors. eta vs tors. theta energy: -129.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1377.321520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.321520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.321520 (E_RNA)
where:
Base-Base interactions energy: -925.190
where: short stacking energy: -413.016
Base-Backbone interact. energy: -0.411
local terms energy: -451.720524
where:
bonds (distance) C4'-P energy: -87.501
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -94.949
flat angles P-C4'-P energy: -63.439
tors. eta vs tors. theta energy: -109.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1168.561619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.561619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.561619 (E_RNA)
where:
Base-Base interactions energy: -778.718
where: short stacking energy: -347.132
Base-Backbone interact. energy: 2.013
local terms energy: -391.856898
where:
bonds (distance) C4'-P energy: -93.267
bonds (distance) P-C4' energy: -71.635
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -70.806
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -934.779867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.779867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.779867 (E_RNA)
where:
Base-Base interactions energy: -579.209
where: short stacking energy: -258.999
Base-Backbone interact. energy: 8.841
local terms energy: -364.411569
where:
bonds (distance) C4'-P energy: -91.196
bonds (distance) P-C4' energy: -81.942
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -64.249
tors. eta vs tors. theta energy: -51.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -667.118454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.118454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.118454 (E_RNA)
where:
Base-Base interactions energy: -334.594
where: short stacking energy: -178.300
Base-Backbone interact. energy: 2.889
local terms energy: -335.413902
where:
bonds (distance) C4'-P energy: -104.572
bonds (distance) P-C4' energy: -97.869
flat angles C4'-P-C4' energy: -74.711
flat angles P-C4'-P energy: -52.928
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1884.549962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.549962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.549962 (E_RNA)
where:
Base-Base interactions energy: -1279.149
where: short stacking energy: -566.766
Base-Backbone interact. energy: -4.585
local terms energy: -600.815441
where:
bonds (distance) C4'-P energy: -101.698
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -129.432
flat angles P-C4'-P energy: -91.046
tors. eta vs tors. theta energy: -171.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1808.238956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.238956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.238956 (E_RNA)
where:
Base-Base interactions energy: -1223.494
where: short stacking energy: -545.743
Base-Backbone interact. energy: -1.949
local terms energy: -582.796560
where:
bonds (distance) C4'-P energy: -108.506
bonds (distance) P-C4' energy: -103.125
flat angles C4'-P-C4' energy: -122.762
flat angles P-C4'-P energy: -92.335
tors. eta vs tors. theta energy: -156.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1751.317797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.317797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.317797 (E_RNA)
where:
Base-Base interactions energy: -1171.350
where: short stacking energy: -515.946
Base-Backbone interact. energy: -3.407
local terms energy: -576.560667
where:
bonds (distance) C4'-P energy: -112.802
bonds (distance) P-C4' energy: -102.908
flat angles C4'-P-C4' energy: -122.094
flat angles P-C4'-P energy: -85.810
tors. eta vs tors. theta energy: -152.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1660.975980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.975980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.975980 (E_RNA)
where:
Base-Base interactions energy: -1138.861
where: short stacking energy: -487.758
Base-Backbone interact. energy: -1.659
local terms energy: -520.456693
where:
bonds (distance) C4'-P energy: -95.553
bonds (distance) P-C4' energy: -91.088
flat angles C4'-P-C4' energy: -119.389
flat angles P-C4'-P energy: -67.342
tors. eta vs tors. theta energy: -147.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1623.321537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.321537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.321537 (E_RNA)
where:
Base-Base interactions energy: -1104.267
where: short stacking energy: -504.701
Base-Backbone interact. energy: -2.985
local terms energy: -516.069087
where:
bonds (distance) C4'-P energy: -81.012
bonds (distance) P-C4' energy: -111.109
flat angles C4'-P-C4' energy: -108.214
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -152.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1565.320234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.320234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.320234 (E_RNA)
where:
Base-Base interactions energy: -1083.525
where: short stacking energy: -457.007
Base-Backbone interact. energy: -0.981
local terms energy: -480.814097
where:
bonds (distance) C4'-P energy: -97.511
bonds (distance) P-C4' energy: -95.211
flat angles C4'-P-C4' energy: -96.517
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -124.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1404.334165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.334165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.334165 (E_RNA)
where:
Base-Base interactions energy: -949.239
where: short stacking energy: -394.665
Base-Backbone interact. energy: 0.035
local terms energy: -455.130928
where:
bonds (distance) C4'-P energy: -85.931
bonds (distance) P-C4' energy: -91.861
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -99.664
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: 309
Temperature: 1.250000
Total energy: -1124.686743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.686743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.686743 (E_RNA)
where:
Base-Base interactions energy: -742.648
where: short stacking energy: -302.819
Base-Backbone interact. energy: -0.398
local terms energy: -381.640867
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -81.333
flat angles C4'-P-C4' energy: -89.364
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -68.092
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: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -916.647738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.647738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.647738 (E_RNA)
where:
Base-Base interactions energy: -565.966
where: short stacking energy: -244.954
Base-Backbone interact. energy: -0.893
local terms energy: -349.788550
where:
bonds (distance) C4'-P energy: -87.085
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -75.456
flat angles P-C4'-P energy: -66.303
tors. eta vs tors. theta energy: -33.649
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: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -712.749317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.749317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.749317 (E_RNA)
where:
Base-Base interactions energy: -372.264
where: short stacking energy: -211.383
Base-Backbone interact. energy: 1.678
local terms energy: -342.162408
where:
bonds (distance) C4'-P energy: -83.274
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -99.893
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -27.320
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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1885.467869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.467869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.467869 (E_RNA)
where:
Base-Base interactions energy: -1274.688
where: short stacking energy: -571.991
Base-Backbone interact. energy: -1.574
local terms energy: -609.205863
where:
bonds (distance) C4'-P energy: -112.747
bonds (distance) P-C4' energy: -105.641
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -87.159
tors. eta vs tors. theta energy: -175.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1796.669045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.669045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.669045 (E_RNA)
where:
Base-Base interactions energy: -1202.193
where: short stacking energy: -550.193
Base-Backbone interact. energy: -2.831
local terms energy: -591.644709
where:
bonds (distance) C4'-P energy: -108.748
bonds (distance) P-C4' energy: -106.596
flat angles C4'-P-C4' energy: -124.524
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -163.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1739.131419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.131419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.131419 (E_RNA)
where:
Base-Base interactions energy: -1200.611
where: short stacking energy: -533.266
Base-Backbone interact. energy: -2.585
local terms energy: -535.934716
where:
bonds (distance) C4'-P energy: -104.711
bonds (distance) P-C4' energy: -85.900
flat angles C4'-P-C4' energy: -118.968
flat angles P-C4'-P energy: -65.229
tors. eta vs tors. theta energy: -161.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1678.841821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.841821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.841821 (E_RNA)
where:
Base-Base interactions energy: -1142.877
where: short stacking energy: -511.780
Base-Backbone interact. energy: -1.258
local terms energy: -534.706311
where:
bonds (distance) C4'-P energy: -90.809
bonds (distance) P-C4' energy: -112.691
flat angles C4'-P-C4' energy: -96.360
flat angles P-C4'-P energy: -81.581
tors. eta vs tors. theta energy: -153.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1614.586965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.586965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.586965 (E_RNA)
where:
Base-Base interactions energy: -1120.683
where: short stacking energy: -482.786
Base-Backbone interact. energy: -1.157
local terms energy: -492.746910
where:
bonds (distance) C4'-P energy: -87.420
bonds (distance) P-C4' energy: -104.859
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -64.922
tors. eta vs tors. theta energy: -136.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1529.478178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.478178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.478178 (E_RNA)
where:
Base-Base interactions energy: -1011.071
where: short stacking energy: -463.603
Base-Backbone interact. energy: -2.706
local terms energy: -515.700842
where:
bonds (distance) C4'-P energy: -111.402
bonds (distance) P-C4' energy: -87.791
flat angles C4'-P-C4' energy: -105.621
flat angles P-C4'-P energy: -78.126
tors. eta vs tors. theta energy: -132.761
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: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1422.994045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.994045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.994045 (E_RNA)
where:
Base-Base interactions energy: -943.538
where: short stacking energy: -401.458
Base-Backbone interact. energy: -1.810
local terms energy: -477.645327
where:
bonds (distance) C4'-P energy: -88.429
bonds (distance) P-C4' energy: -103.278
flat angles C4'-P-C4' energy: -109.799
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -106.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1114.000015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.000015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.000015 (E_RNA)
where:
Base-Base interactions energy: -712.285
where: short stacking energy: -309.920
Base-Backbone interact. energy: 5.272
local terms energy: -406.987624
where:
bonds (distance) C4'-P energy: -82.272
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -103.503
flat angles P-C4'-P energy: -53.126
tors. eta vs tors. theta energy: -58.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -958.421154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.421154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.421154 (E_RNA)
where:
Base-Base interactions energy: -610.165
where: short stacking energy: -264.085
Base-Backbone interact. energy: -1.631
local terms energy: -346.624549
where:
bonds (distance) C4'-P energy: -76.461
bonds (distance) P-C4' energy: -102.631
flat angles C4'-P-C4' energy: -74.091
flat angles P-C4'-P energy: -57.959
tors. eta vs tors. theta energy: -35.483
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: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -668.485951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.485951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.485951 (E_RNA)
where:
Base-Base interactions energy: -351.846
where: short stacking energy: -190.318
Base-Backbone interact. energy: -2.887
local terms energy: -313.753384
where:
bonds (distance) C4'-P energy: -75.599
bonds (distance) P-C4' energy: -95.849
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1886.704588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.704588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.704588 (E_RNA)
where:
Base-Base interactions energy: -1288.859
where: short stacking energy: -574.912
Base-Backbone interact. energy: -4.055
local terms energy: -593.790273
where:
bonds (distance) C4'-P energy: -111.045
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -128.396
flat angles P-C4'-P energy: -83.830
tors. eta vs tors. theta energy: -174.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1801.363919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.363919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.363919 (E_RNA)
where:
Base-Base interactions energy: -1205.938
where: short stacking energy: -551.063
Base-Backbone interact. energy: -3.004
local terms energy: -592.421426
where:
bonds (distance) C4'-P energy: -109.167
bonds (distance) P-C4' energy: -111.735
flat angles C4'-P-C4' energy: -112.704
flat angles P-C4'-P energy: -89.647
tors. eta vs tors. theta energy: -169.169
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: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1757.903585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.903585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.903585 (E_RNA)
where:
Base-Base interactions energy: -1179.944
where: short stacking energy: -520.098
Base-Backbone interact. energy: -1.197
local terms energy: -576.762406
where:
bonds (distance) C4'-P energy: -112.336
bonds (distance) P-C4' energy: -111.194
flat angles C4'-P-C4' energy: -124.804
flat angles P-C4'-P energy: -78.848
tors. eta vs tors. theta energy: -149.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1639.933328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.933328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.933328 (E_RNA)
where:
Base-Base interactions energy: -1116.809
where: short stacking energy: -508.926
Base-Backbone interact. energy: -2.142
local terms energy: -520.981857
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -104.674
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -141.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1605.524067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.524067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.524067 (E_RNA)
where:
Base-Base interactions energy: -1100.875
where: short stacking energy: -492.387
Base-Backbone interact. energy: -2.240
local terms energy: -502.409735
where:
bonds (distance) C4'-P energy: -76.497
bonds (distance) P-C4' energy: -99.072
flat angles C4'-P-C4' energy: -117.002
flat angles P-C4'-P energy: -75.437
tors. eta vs tors. theta energy: -134.402
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1533.964928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.964928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.964928 (E_RNA)
where:
Base-Base interactions energy: -1038.052
where: short stacking energy: -452.004
Base-Backbone interact. energy: -2.984
local terms energy: -492.928915
where:
bonds (distance) C4'-P energy: -87.150
bonds (distance) P-C4' energy: -99.563
flat angles C4'-P-C4' energy: -103.411
flat angles P-C4'-P energy: -72.259
tors. eta vs tors. theta energy: -130.547
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: 311
Temperature: 1.200000
Total energy: -1444.142683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.142683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.142683 (E_RNA)
where:
Base-Base interactions energy: -962.599
where: short stacking energy: -410.398
Base-Backbone interact. energy: -2.823
local terms energy: -478.721061
where:
bonds (distance) C4'-P energy: -102.733
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -107.653
flat angles P-C4'-P energy: -70.130
tors. eta vs tors. theta energy: -103.800
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: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1133.839029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.839029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.839029 (E_RNA)
where:
Base-Base interactions energy: -731.715
where: short stacking energy: -323.378
Base-Backbone interact. energy: 0.029
local terms energy: -402.152909
where:
bonds (distance) C4'-P energy: -105.286
bonds (distance) P-C4' energy: -83.183
flat angles C4'-P-C4' energy: -97.945
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1035.628927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.628927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.628927 (E_RNA)
where:
Base-Base interactions energy: -655.950
where: short stacking energy: -287.487
Base-Backbone interact. energy: -2.316
local terms energy: -377.363142
where:
bonds (distance) C4'-P energy: -91.248
bonds (distance) P-C4' energy: -85.047
flat angles C4'-P-C4' energy: -84.173
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -65.606
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: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -643.397176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.397176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.397176 (E_RNA)
where:
Base-Base interactions energy: -366.089
where: short stacking energy: -198.340
Base-Backbone interact. energy: 2.466
local terms energy: -279.775123
where:
bonds (distance) C4'-P energy: -78.892
bonds (distance) P-C4' energy: -100.158
flat angles C4'-P-C4' energy: -70.747
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -3.637
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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1896.325835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.325835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.325835 (E_RNA)
where:
Base-Base interactions energy: -1281.155
where: short stacking energy: -570.494
Base-Backbone interact. energy: -3.522
local terms energy: -611.648721
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -124.942
flat angles C4'-P-C4' energy: -123.692
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -169.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1804.963311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.963311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.963311 (E_RNA)
where:
Base-Base interactions energy: -1223.033
where: short stacking energy: -538.800
Base-Backbone interact. energy: -1.985
local terms energy: -579.945426
where:
bonds (distance) C4'-P energy: -104.671
bonds (distance) P-C4' energy: -104.609
flat angles C4'-P-C4' energy: -124.578
flat angles P-C4'-P energy: -80.573
tors. eta vs tors. theta energy: -165.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1728.894454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.894454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.894454 (E_RNA)
where:
Base-Base interactions energy: -1163.853
where: short stacking energy: -518.904
Base-Backbone interact. energy: -3.161
local terms energy: -561.880270
where:
bonds (distance) C4'-P energy: -101.851
bonds (distance) P-C4' energy: -108.775
flat angles C4'-P-C4' energy: -110.916
flat angles P-C4'-P energy: -89.274
tors. eta vs tors. theta energy: -151.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1644.007407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.007407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.007407 (E_RNA)
where:
Base-Base interactions energy: -1142.945
where: short stacking energy: -507.871
Base-Backbone interact. energy: 0.909
local terms energy: -501.971386
where:
bonds (distance) C4'-P energy: -96.183
bonds (distance) P-C4' energy: -92.300
flat angles C4'-P-C4' energy: -108.939
flat angles P-C4'-P energy: -67.494
tors. eta vs tors. theta energy: -137.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1608.690876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.690876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.690876 (E_RNA)
where:
Base-Base interactions energy: -1096.629
where: short stacking energy: -488.516
Base-Backbone interact. energy: 1.532
local terms energy: -513.593759
where:
bonds (distance) C4'-P energy: -89.077
bonds (distance) P-C4' energy: -95.904
flat angles C4'-P-C4' energy: -108.399
flat angles P-C4'-P energy: -84.792
tors. eta vs tors. theta energy: -135.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1556.225188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.225188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.225188 (E_RNA)
where:
Base-Base interactions energy: -1050.616
where: short stacking energy: -458.710
Base-Backbone interact. energy: -0.236
local terms energy: -505.372399
where:
bonds (distance) C4'-P energy: -105.914
bonds (distance) P-C4' energy: -103.935
flat angles C4'-P-C4' energy: -102.628
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -131.312
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1430.041886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.041886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.041886 (E_RNA)
where:
Base-Base interactions energy: -954.996
where: short stacking energy: -395.167
Base-Backbone interact. energy: 1.810
local terms energy: -476.856165
where:
bonds (distance) C4'-P energy: -94.739
bonds (distance) P-C4' energy: -108.758
flat angles C4'-P-C4' energy: -109.368
flat angles P-C4'-P energy: -59.492
tors. eta vs tors. theta energy: -104.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1198.206731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.206731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.206731 (E_RNA)
where:
Base-Base interactions energy: -808.063
where: short stacking energy: -349.434
Base-Backbone interact. energy: -1.284
local terms energy: -388.860485
where:
bonds (distance) C4'-P energy: -96.874
bonds (distance) P-C4' energy: -83.793
flat angles C4'-P-C4' energy: -85.963
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -79.052
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: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1083.244802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.244802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.244802 (E_RNA)
where:
Base-Base interactions energy: -707.828
where: short stacking energy: -304.583
Base-Backbone interact. energy: -2.879
local terms energy: -372.536891
where:
bonds (distance) C4'-P energy: -79.554
bonds (distance) P-C4' energy: -87.347
flat angles C4'-P-C4' energy: -87.541
flat angles P-C4'-P energy: -64.844
tors. eta vs tors. theta energy: -53.251
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: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -640.419468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.419468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.419468 (E_RNA)
where:
Base-Base interactions energy: -313.638
where: short stacking energy: -170.109
Base-Backbone interact. energy: 0.120
local terms energy: -326.901553
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -104.859
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: 6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1887.517735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.517735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.517735 (E_RNA)
where:
Base-Base interactions energy: -1297.467
where: short stacking energy: -592.342
Base-Backbone interact. energy: -3.448
local terms energy: -586.602753
where:
bonds (distance) C4'-P energy: -112.054
bonds (distance) P-C4' energy: -109.039
flat angles C4'-P-C4' energy: -119.442
flat angles P-C4'-P energy: -78.488
tors. eta vs tors. theta energy: -167.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1787.119301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.119301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.119301 (E_RNA)
where:
Base-Base interactions energy: -1197.480
where: short stacking energy: -544.819
Base-Backbone interact. energy: -0.988
local terms energy: -588.650891
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -116.374
flat angles C4'-P-C4' energy: -130.360
flat angles P-C4'-P energy: -79.473
tors. eta vs tors. theta energy: -156.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1718.071950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.071950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.071950 (E_RNA)
where:
Base-Base interactions energy: -1190.635
where: short stacking energy: -508.796
Base-Backbone interact. energy: -1.930
local terms energy: -525.507064
where:
bonds (distance) C4'-P energy: -89.854
bonds (distance) P-C4' energy: -112.762
flat angles C4'-P-C4' energy: -104.165
flat angles P-C4'-P energy: -74.609
tors. eta vs tors. theta energy: -144.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1705.052912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.052912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.052912 (E_RNA)
where:
Base-Base interactions energy: -1175.619
where: short stacking energy: -515.467
Base-Backbone interact. energy: 1.422
local terms energy: -530.855549
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -106.187
flat angles C4'-P-C4' energy: -111.641
flat angles P-C4'-P energy: -79.031
tors. eta vs tors. theta energy: -145.569
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1632.867549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.867549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.867549 (E_RNA)
where:
Base-Base interactions energy: -1122.429
where: short stacking energy: -505.410
Base-Backbone interact. energy: 0.639
local terms energy: -511.077524
where:
bonds (distance) C4'-P energy: -95.250
bonds (distance) P-C4' energy: -93.742
flat angles C4'-P-C4' energy: -109.980
flat angles P-C4'-P energy: -66.042
tors. eta vs tors. theta energy: -146.064
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1543.706101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.706101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.706101 (E_RNA)
where:
Base-Base interactions energy: -1053.636
where: short stacking energy: -458.180
Base-Backbone interact. energy: -2.185
local terms energy: -487.884893
where:
bonds (distance) C4'-P energy: -83.133
bonds (distance) P-C4' energy: -98.421
flat angles C4'-P-C4' energy: -106.104
flat angles P-C4'-P energy: -64.196
tors. eta vs tors. theta energy: -136.031
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: 313
Temperature: 1.200000
Total energy: -1420.634762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.634762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.634762 (E_RNA)
where:
Base-Base interactions energy: -975.186
where: short stacking energy: -435.924
Base-Backbone interact. energy: -1.133
local terms energy: -444.314817
where:
bonds (distance) C4'-P energy: -84.400
bonds (distance) P-C4' energy: -77.508
flat angles C4'-P-C4' energy: -99.060
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -124.971
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: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1234.684102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.684102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.684102 (E_RNA)
where:
Base-Base interactions energy: -829.227
where: short stacking energy: -347.945
Base-Backbone interact. energy: 0.169
local terms energy: -405.625930
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -99.691
flat angles C4'-P-C4' energy: -96.583
flat angles P-C4'-P energy: -59.225
tors. eta vs tors. theta energy: -76.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1077.155502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.155502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.155502 (E_RNA)
where:
Base-Base interactions energy: -701.598
where: short stacking energy: -319.528
Base-Backbone interact. energy: 3.365
local terms energy: -378.922084
where:
bonds (distance) C4'-P energy: -85.419
bonds (distance) P-C4' energy: -87.502
flat angles C4'-P-C4' energy: -85.385
flat angles P-C4'-P energy: -56.477
tors. eta vs tors. theta energy: -64.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -601.799448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.799448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.799448 (E_RNA)
where:
Base-Base interactions energy: -297.672
where: short stacking energy: -167.733
Base-Backbone interact. energy: 0.490
local terms energy: -304.617721
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -100.163
flat angles C4'-P-C4' energy: -83.111
flat angles P-C4'-P energy: -48.715
tors. eta vs tors. theta energy: -1.325
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: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1881.878570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.878570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.878570 (E_RNA)
where:
Base-Base interactions energy: -1284.152
where: short stacking energy: -557.214
Base-Backbone interact. energy: 2.019
local terms energy: -599.746192
where:
bonds (distance) C4'-P energy: -113.787
bonds (distance) P-C4' energy: -106.613
flat angles C4'-P-C4' energy: -122.267
flat angles P-C4'-P energy: -87.967
tors. eta vs tors. theta energy: -169.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1794.940391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.940391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.940391 (E_RNA)
where:
Base-Base interactions energy: -1217.396
where: short stacking energy: -552.330
Base-Backbone interact. energy: 2.845
local terms energy: -580.388863
where:
bonds (distance) C4'-P energy: -105.990
bonds (distance) P-C4' energy: -99.863
flat angles C4'-P-C4' energy: -115.897
flat angles P-C4'-P energy: -81.430
tors. eta vs tors. theta energy: -177.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1738.502931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.502931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.502931 (E_RNA)
where:
Base-Base interactions energy: -1170.880
where: short stacking energy: -519.243
Base-Backbone interact. energy: 4.453
local terms energy: -572.076649
where:
bonds (distance) C4'-P energy: -95.673
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -114.983
flat angles P-C4'-P energy: -88.736
tors. eta vs tors. theta energy: -159.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1721.926076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.926076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.926076 (E_RNA)
where:
Base-Base interactions energy: -1190.933
where: short stacking energy: -507.626
Base-Backbone interact. energy: 3.717
local terms energy: -534.710284
where:
bonds (distance) C4'-P energy: -100.417
bonds (distance) P-C4' energy: -107.858
flat angles C4'-P-C4' energy: -105.889
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -142.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1620.847275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.847275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.847275 (E_RNA)
where:
Base-Base interactions energy: -1107.358
where: short stacking energy: -492.129
Base-Backbone interact. energy: 0.472
local terms energy: -513.961142
where:
bonds (distance) C4'-P energy: -91.412
bonds (distance) P-C4' energy: -105.966
flat angles C4'-P-C4' energy: -109.314
flat angles P-C4'-P energy: -74.211
tors. eta vs tors. theta energy: -133.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1584.200606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.200606 (E_RNA)
where:
Base-Base interactions energy: -1089.147
where: short stacking energy: -483.670
Base-Backbone interact. energy: -2.706
local terms energy: -492.347861
where:
bonds (distance) C4'-P energy: -94.747
bonds (distance) P-C4' energy: -90.471
flat angles C4'-P-C4' energy: -99.768
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -135.969
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1365.818052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.818052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.818052 (E_RNA)
where:
Base-Base interactions energy: -907.906
where: short stacking energy: -390.312
Base-Backbone interact. energy: -1.552
local terms energy: -456.360369
where:
bonds (distance) C4'-P energy: -91.636
bonds (distance) P-C4' energy: -95.900
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -67.940
tors. eta vs tors. theta energy: -92.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1271.747135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.747135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.747135 (E_RNA)
where:
Base-Base interactions energy: -846.034
where: short stacking energy: -376.373
Base-Backbone interact. energy: -1.443
local terms energy: -424.270389
where:
bonds (distance) C4'-P energy: -84.564
bonds (distance) P-C4' energy: -96.732
flat angles C4'-P-C4' energy: -88.086
flat angles P-C4'-P energy: -56.796
tors. eta vs tors. theta energy: -98.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -955.296972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.296972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.296972 (E_RNA)
where:
Base-Base interactions energy: -610.172
where: short stacking energy: -266.299
Base-Backbone interact. energy: 1.322
local terms energy: -346.446432
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -83.288
flat angles P-C4'-P energy: -54.470
tors. eta vs tors. theta energy: -44.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -575.933403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.933403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.933403 (E_RNA)
where:
Base-Base interactions energy: -281.569
where: short stacking energy: -174.877
Base-Backbone interact. energy: -1.946
local terms energy: -292.418680
where:
bonds (distance) C4'-P energy: -87.637
bonds (distance) P-C4' energy: -85.000
flat angles C4'-P-C4' energy: -67.837
flat angles P-C4'-P energy: -52.899
tors. eta vs tors. theta energy: 0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1880.082308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.082308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.082308 (E_RNA)
where:
Base-Base interactions energy: -1292.236
where: short stacking energy: -563.566
Base-Backbone interact. energy: 0.666
local terms energy: -588.512148
where:
bonds (distance) C4'-P energy: -100.773
bonds (distance) P-C4' energy: -107.028
flat angles C4'-P-C4' energy: -119.446
flat angles P-C4'-P energy: -95.160
tors. eta vs tors. theta energy: -166.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1752.933925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.933925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.933925 (E_RNA)
where:
Base-Base interactions energy: -1192.303
where: short stacking energy: -520.545
Base-Backbone interact. energy: -2.593
local terms energy: -558.038076
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -102.210
flat angles C4'-P-C4' energy: -121.415
flat angles P-C4'-P energy: -65.678
tors. eta vs tors. theta energy: -164.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1701.380853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.380853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.380853 (E_RNA)
where:
Base-Base interactions energy: -1127.475
where: short stacking energy: -489.627
Base-Backbone interact. energy: -2.269
local terms energy: -571.637116
where:
bonds (distance) C4'-P energy: -105.121
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -124.230
flat angles P-C4'-P energy: -84.842
tors. eta vs tors. theta energy: -146.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1699.304430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.304430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.304430 (E_RNA)
where:
Base-Base interactions energy: -1171.088
where: short stacking energy: -496.459
Base-Backbone interact. energy: -0.242
local terms energy: -527.975006
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -91.347
flat angles C4'-P-C4' energy: -116.481
flat angles P-C4'-P energy: -58.327
tors. eta vs tors. theta energy: -149.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1584.997037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.997037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.997037 (E_RNA)
where:
Base-Base interactions energy: -1077.683
where: short stacking energy: -446.260
Base-Backbone interact. energy: -0.516
local terms energy: -506.797575
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -95.422
flat angles P-C4'-P energy: -75.020
tors. eta vs tors. theta energy: -133.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1563.638675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.638675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.638675 (E_RNA)
where:
Base-Base interactions energy: -1032.362
where: short stacking energy: -442.899
Base-Backbone interact. energy: -0.806
local terms energy: -530.470327
where:
bonds (distance) C4'-P energy: -108.987
bonds (distance) P-C4' energy: -92.596
flat angles C4'-P-C4' energy: -115.839
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -135.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1363.761117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.761117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.761117 (E_RNA)
where:
Base-Base interactions energy: -925.046
where: short stacking energy: -392.729
Base-Backbone interact. energy: 1.065
local terms energy: -439.779546
where:
bonds (distance) C4'-P energy: -78.493
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -99.721
flat angles P-C4'-P energy: -71.444
tors. eta vs tors. theta energy: -99.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1229.867017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.867017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.867017 (E_RNA)
where:
Base-Base interactions energy: -793.725
where: short stacking energy: -345.526
Base-Backbone interact. energy: 2.040
local terms energy: -438.182706
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -104.008
flat angles C4'-P-C4' energy: -111.992
flat angles P-C4'-P energy: -61.693
tors. eta vs tors. theta energy: -79.113
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: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -951.166759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.166759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.166759 (E_RNA)
where:
Base-Base interactions energy: -608.427
where: short stacking energy: -260.048
Base-Backbone interact. energy: -0.230
local terms energy: -342.509824
where:
bonds (distance) C4'-P energy: -72.504
bonds (distance) P-C4' energy: -92.027
flat angles C4'-P-C4' energy: -85.934
flat angles P-C4'-P energy: -59.698
tors. eta vs tors. theta energy: -32.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -568.221690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.221690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.221690 (E_RNA)
where:
Base-Base interactions energy: -281.181
where: short stacking energy: -157.277
Base-Backbone interact. energy: 0.501
local terms energy: -287.541314
where:
bonds (distance) C4'-P energy: -82.087
bonds (distance) P-C4' energy: -95.802
flat angles C4'-P-C4' energy: -73.032
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1860.112944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.112944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.112944 (E_RNA)
where:
Base-Base interactions energy: -1265.285
where: short stacking energy: -574.143
Base-Backbone interact. energy: -0.569
local terms energy: -594.258991
where:
bonds (distance) C4'-P energy: -108.222
bonds (distance) P-C4' energy: -112.633
flat angles C4'-P-C4' energy: -125.155
flat angles P-C4'-P energy: -83.321
tors. eta vs tors. theta energy: -164.927
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1733.518109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.518109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.518109 (E_RNA)
where:
Base-Base interactions energy: -1165.171
where: short stacking energy: -519.345
Base-Backbone interact. energy: -1.576
local terms energy: -566.771748
where:
bonds (distance) C4'-P energy: -121.382
bonds (distance) P-C4' energy: -108.604
flat angles C4'-P-C4' energy: -108.356
flat angles P-C4'-P energy: -79.347
tors. eta vs tors. theta energy: -149.083
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: 316
Temperature: 1.000000
Total energy: -1770.430079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.430079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.430079 (E_RNA)
where:
Base-Base interactions energy: -1218.411
where: short stacking energy: -524.284
Base-Backbone interact. energy: -1.347
local terms energy: -550.672139
where:
bonds (distance) C4'-P energy: -97.047
bonds (distance) P-C4' energy: -107.409
flat angles C4'-P-C4' energy: -113.405
flat angles P-C4'-P energy: -81.733
tors. eta vs tors. theta energy: -151.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1676.240730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.240730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.240730 (E_RNA)
where:
Base-Base interactions energy: -1128.140
where: short stacking energy: -492.847
Base-Backbone interact. energy: -1.707
local terms energy: -546.393864
where:
bonds (distance) C4'-P energy: -89.316
bonds (distance) P-C4' energy: -92.707
flat angles C4'-P-C4' energy: -122.682
flat angles P-C4'-P energy: -93.513
tors. eta vs tors. theta energy: -148.176
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: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1632.142024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.142024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.142024 (E_RNA)
where:
Base-Base interactions energy: -1094.907
where: short stacking energy: -456.484
Base-Backbone interact. energy: -2.148
local terms energy: -535.086707
where:
bonds (distance) C4'-P energy: -100.285
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -113.267
flat angles P-C4'-P energy: -86.577
tors. eta vs tors. theta energy: -137.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1527.725250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.725250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.725250 (E_RNA)
where:
Base-Base interactions energy: -1047.219
where: short stacking energy: -432.833
Base-Backbone interact. energy: -0.818
local terms energy: -479.688098
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -93.829
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -127.161
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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1366.399880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.399880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.399880 (E_RNA)
where:
Base-Base interactions energy: -915.741
where: short stacking energy: -405.011
Base-Backbone interact. energy: -2.385
local terms energy: -448.273669
where:
bonds (distance) C4'-P energy: -79.890
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -103.923
flat angles P-C4'-P energy: -73.304
tors. eta vs tors. theta energy: -102.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1229.661578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.661578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.661578 (E_RNA)
where:
Base-Base interactions energy: -801.876
where: short stacking energy: -341.735
Base-Backbone interact. energy: -3.460
local terms energy: -424.325108
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -101.236
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -67.258
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -973.870605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.870605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.870605 (E_RNA)
where:
Base-Base interactions energy: -641.657
where: short stacking energy: -287.257
Base-Backbone interact. energy: -1.105
local terms energy: -331.108295
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -74.889
flat angles C4'-P-C4' energy: -97.558
flat angles P-C4'-P energy: -48.100
tors. eta vs tors. theta energy: -36.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -586.404805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.404805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.404805 (E_RNA)
where:
Base-Base interactions energy: -314.199
where: short stacking energy: -139.097
Base-Backbone interact. energy: -4.485
local terms energy: -267.720110
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -86.940
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -51.377
tors. eta vs tors. theta energy: 11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1841.353671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.353671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.353671 (E_RNA)
where:
Base-Base interactions energy: -1271.476
where: short stacking energy: -561.231
Base-Backbone interact. energy: -2.023
local terms energy: -567.854120
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -99.714
flat angles C4'-P-C4' energy: -123.277
flat angles P-C4'-P energy: -85.376
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1752.458655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.458655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.458655 (E_RNA)
where:
Base-Base interactions energy: -1209.966
where: short stacking energy: -547.106
Base-Backbone interact. energy: 1.746
local terms energy: -544.239057
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -102.499
flat angles C4'-P-C4' energy: -113.036
flat angles P-C4'-P energy: -86.042
tors. eta vs tors. theta energy: -152.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1740.283413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.283413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.283413 (E_RNA)
where:
Base-Base interactions energy: -1200.204
where: short stacking energy: -489.600
Base-Backbone interact. energy: -0.687
local terms energy: -539.392071
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -105.689
flat angles C4'-P-C4' energy: -119.019
flat angles P-C4'-P energy: -88.729
tors. eta vs tors. theta energy: -140.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1707.332103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.332103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.332103 (E_RNA)
where:
Base-Base interactions energy: -1168.471
where: short stacking energy: -525.963
Base-Backbone interact. energy: -1.515
local terms energy: -537.346826
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -100.433
flat angles C4'-P-C4' energy: -119.705
flat angles P-C4'-P energy: -75.917
tors. eta vs tors. theta energy: -149.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1636.867420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.867420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.867420 (E_RNA)
where:
Base-Base interactions energy: -1122.016
where: short stacking energy: -503.473
Base-Backbone interact. energy: -0.919
local terms energy: -513.932197
where:
bonds (distance) C4'-P energy: -96.585
bonds (distance) P-C4' energy: -91.519
flat angles C4'-P-C4' energy: -112.849
flat angles P-C4'-P energy: -74.784
tors. eta vs tors. theta energy: -138.195
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1484.563599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.563599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.563599 (E_RNA)
where:
Base-Base interactions energy: -988.949
where: short stacking energy: -427.135
Base-Backbone interact. energy: 0.598
local terms energy: -496.212761
where:
bonds (distance) C4'-P energy: -93.502
bonds (distance) P-C4' energy: -88.897
flat angles C4'-P-C4' energy: -111.877
flat angles P-C4'-P energy: -79.550
tors. eta vs tors. theta energy: -122.387
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: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1372.605664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.605664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.605664 (E_RNA)
where:
Base-Base interactions energy: -930.479
where: short stacking energy: -396.623
Base-Backbone interact. energy: -0.594
local terms energy: -441.532769
where:
bonds (distance) C4'-P energy: -77.351
bonds (distance) P-C4' energy: -103.517
flat angles C4'-P-C4' energy: -95.476
flat angles P-C4'-P energy: -61.002
tors. eta vs tors. theta energy: -104.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1197.241939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.241939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.241939 (E_RNA)
where:
Base-Base interactions energy: -775.687
where: short stacking energy: -325.998
Base-Backbone interact. energy: 2.081
local terms energy: -423.636177
where:
bonds (distance) C4'-P energy: -101.313
bonds (distance) P-C4' energy: -94.438
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -58.649
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: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -971.310474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.310474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.310474 (E_RNA)
where:
Base-Base interactions energy: -606.423
where: short stacking energy: -248.152
Base-Backbone interact. energy: -0.485
local terms energy: -364.402729
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -88.754
flat angles C4'-P-C4' energy: -90.676
flat angles P-C4'-P energy: -55.158
tors. eta vs tors. theta energy: -51.824
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: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -627.543077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.543077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.543077 (E_RNA)
where:
Base-Base interactions energy: -314.142
where: short stacking energy: -149.777
Base-Backbone interact. energy: 2.122
local terms energy: -315.523647
where:
bonds (distance) C4'-P energy: -76.309
bonds (distance) P-C4' energy: -114.361
flat angles C4'-P-C4' energy: -83.761
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: 4.035
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: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1859.931028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.931028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.931028 (E_RNA)
where:
Base-Base interactions energy: -1263.134
where: short stacking energy: -559.347
Base-Backbone interact. energy: 0.646
local terms energy: -597.442756
where:
bonds (distance) C4'-P energy: -109.723
bonds (distance) P-C4' energy: -106.831
flat angles C4'-P-C4' energy: -117.304
flat angles P-C4'-P energy: -94.036
tors. eta vs tors. theta energy: -169.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1748.312210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.312210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.312210 (E_RNA)
where:
Base-Base interactions energy: -1190.370
where: short stacking energy: -520.887
Base-Backbone interact. energy: -3.147
local terms energy: -554.794462
where:
bonds (distance) C4'-P energy: -101.496
bonds (distance) P-C4' energy: -104.155
flat angles C4'-P-C4' energy: -112.797
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: -151.904
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: 318
Temperature: 1.000000
Total energy: -1727.725866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.725866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.725866 (E_RNA)
where:
Base-Base interactions energy: -1165.209
where: short stacking energy: -508.589
Base-Backbone interact. energy: -0.782
local terms energy: -561.734010
where:
bonds (distance) C4'-P energy: -114.860
bonds (distance) P-C4' energy: -111.942
flat angles C4'-P-C4' energy: -126.711
flat angles P-C4'-P energy: -71.152
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: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1645.318587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.318587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.318587 (E_RNA)
where:
Base-Base interactions energy: -1110.817
where: short stacking energy: -490.530
Base-Backbone interact. energy: -0.918
local terms energy: -533.582848
where:
bonds (distance) C4'-P energy: -92.155
bonds (distance) P-C4' energy: -106.062
flat angles C4'-P-C4' energy: -116.510
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -145.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1652.043215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.043215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.043215 (E_RNA)
where:
Base-Base interactions energy: -1132.507
where: short stacking energy: -486.229
Base-Backbone interact. energy: -1.930
local terms energy: -517.606176
where:
bonds (distance) C4'-P energy: -91.676
bonds (distance) P-C4' energy: -104.949
flat angles C4'-P-C4' energy: -114.364
flat angles P-C4'-P energy: -63.982
tors. eta vs tors. theta energy: -142.636
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1511.503442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.503442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.503442 (E_RNA)
where:
Base-Base interactions energy: -1024.561
where: short stacking energy: -433.911
Base-Backbone interact. energy: 0.355
local terms energy: -487.297816
where:
bonds (distance) C4'-P energy: -93.538
bonds (distance) P-C4' energy: -93.786
flat angles C4'-P-C4' energy: -112.553
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -114.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1403.445737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.445737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.445737 (E_RNA)
where:
Base-Base interactions energy: -952.725
where: short stacking energy: -396.359
Base-Backbone interact. energy: -1.133
local terms energy: -449.587671
where:
bonds (distance) C4'-P energy: -87.391
bonds (distance) P-C4' energy: -89.795
flat angles C4'-P-C4' energy: -102.452
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -108.506
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: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1229.119969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.119969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.119969 (E_RNA)
where:
Base-Base interactions energy: -827.241
where: short stacking energy: -378.157
Base-Backbone interact. energy: 2.128
local terms energy: -404.006926
where:
bonds (distance) C4'-P energy: -94.903
bonds (distance) P-C4' energy: -86.442
flat angles C4'-P-C4' energy: -91.727
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -89.844
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: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1044.896576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.896576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.896576 (E_RNA)
where:
Base-Base interactions energy: -682.441
where: short stacking energy: -288.482
Base-Backbone interact. energy: -0.231
local terms energy: -362.225339
where:
bonds (distance) C4'-P energy: -76.439
bonds (distance) P-C4' energy: -81.796
flat angles C4'-P-C4' energy: -79.316
flat angles P-C4'-P energy: -62.159
tors. eta vs tors. theta energy: -62.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -569.389201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.389201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.389201 (E_RNA)
where:
Base-Base interactions energy: -275.556
where: short stacking energy: -164.646
Base-Backbone interact. energy: -1.467
local terms energy: -292.366316
where:
bonds (distance) C4'-P energy: -85.425
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1858.699498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.699498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.699498 (E_RNA)
where:
Base-Base interactions energy: -1287.388
where: short stacking energy: -567.106
Base-Backbone interact. energy: -2.058
local terms energy: -569.253578
where:
bonds (distance) C4'-P energy: -107.253
bonds (distance) P-C4' energy: -104.374
flat angles C4'-P-C4' energy: -105.759
flat angles P-C4'-P energy: -88.968
tors. eta vs tors. theta energy: -162.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1793.671102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.671102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.671102 (E_RNA)
where:
Base-Base interactions energy: -1214.726
where: short stacking energy: -537.990
Base-Backbone interact. energy: -1.097
local terms energy: -577.847706
where:
bonds (distance) C4'-P energy: -102.677
bonds (distance) P-C4' energy: -112.035
flat angles C4'-P-C4' energy: -121.078
flat angles P-C4'-P energy: -83.822
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: 319
Temperature: 1.000000
Total energy: -1742.267133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.267133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.267133 (E_RNA)
where:
Base-Base interactions energy: -1220.931
where: short stacking energy: -510.057
Base-Backbone interact. energy: -1.971
local terms energy: -519.364632
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -108.279
flat angles C4'-P-C4' energy: -103.522
flat angles P-C4'-P energy: -82.347
tors. eta vs tors. theta energy: -134.421
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1651.521351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.521351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.521351 (E_RNA)
where:
Base-Base interactions energy: -1108.176
where: short stacking energy: -481.300
Base-Backbone interact. energy: 0.133
local terms energy: -543.478978
where:
bonds (distance) C4'-P energy: -109.369
bonds (distance) P-C4' energy: -93.359
flat angles C4'-P-C4' energy: -108.033
flat angles P-C4'-P energy: -86.605
tors. eta vs tors. theta energy: -146.113
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: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1608.889453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.889453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.889453 (E_RNA)
where:
Base-Base interactions energy: -1120.538
where: short stacking energy: -471.079
Base-Backbone interact. energy: -1.430
local terms energy: -486.921960
where:
bonds (distance) C4'-P energy: -90.814
bonds (distance) P-C4' energy: -94.098
flat angles C4'-P-C4' energy: -104.469
flat angles P-C4'-P energy: -66.344
tors. eta vs tors. theta energy: -131.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1555.668209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.668209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.668209 (E_RNA)
where:
Base-Base interactions energy: -1073.616
where: short stacking energy: -453.489
Base-Backbone interact. energy: -1.298
local terms energy: -480.754851
where:
bonds (distance) C4'-P energy: -99.766
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -111.806
flat angles P-C4'-P energy: -59.570
tors. eta vs tors. theta energy: -115.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1406.779870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.779870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.779870 (E_RNA)
where:
Base-Base interactions energy: -954.296
where: short stacking energy: -436.975
Base-Backbone interact. energy: -1.881
local terms energy: -450.602289
where:
bonds (distance) C4'-P energy: -102.044
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -58.820
tors. eta vs tors. theta energy: -103.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1074.921961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.921961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.921961 (E_RNA)
where:
Base-Base interactions energy: -681.915
where: short stacking energy: -298.569
Base-Backbone interact. energy: 0.584
local terms energy: -393.590553
where:
bonds (distance) C4'-P energy: -99.339
bonds (distance) P-C4' energy: -81.753
flat angles C4'-P-C4' energy: -82.050
flat angles P-C4'-P energy: -72.511
tors. eta vs tors. theta energy: -57.936
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: 319
Temperature: 1.300000
Total energy: -1185.399163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.399163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.399163 (E_RNA)
where:
Base-Base interactions energy: -769.053
where: short stacking energy: -352.149
Base-Backbone interact. energy: 0.490
local terms energy: -416.835639
where:
bonds (distance) C4'-P energy: -82.223
bonds (distance) P-C4' energy: -90.366
flat angles C4'-P-C4' energy: -104.812
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -80.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -520.933040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.933040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.933040 (E_RNA)
where:
Base-Base interactions energy: -232.241
where: short stacking energy: -127.901
Base-Backbone interact. energy: 4.186
local terms energy: -292.877909
where:
bonds (distance) C4'-P energy: -101.628
bonds (distance) P-C4' energy: -79.187
flat angles C4'-P-C4' energy: -80.031
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: 12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1871.621937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.621937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.621937 (E_RNA)
where:
Base-Base interactions energy: -1254.794
where: short stacking energy: -550.338
Base-Backbone interact. energy: -3.098
local terms energy: -613.729413
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -117.403
flat angles C4'-P-C4' energy: -126.810
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -171.380
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: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1807.454506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.454506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.454506 (E_RNA)
where:
Base-Base interactions energy: -1225.586
where: short stacking energy: -549.572
Base-Backbone interact. energy: -0.700
local terms energy: -581.168430
where:
bonds (distance) C4'-P energy: -99.191
bonds (distance) P-C4' energy: -111.707
flat angles C4'-P-C4' energy: -123.320
flat angles P-C4'-P energy: -91.391
tors. eta vs tors. theta energy: -155.560
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: 320
Temperature: 1.000000
Total energy: -1730.627341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.627341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.627341 (E_RNA)
where:
Base-Base interactions energy: -1163.771
where: short stacking energy: -510.346
Base-Backbone interact. energy: 1.518
local terms energy: -568.374740
where:
bonds (distance) C4'-P energy: -107.899
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -122.432
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -145.781
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: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1667.313532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.313532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.313532 (E_RNA)
where:
Base-Base interactions energy: -1138.332
where: short stacking energy: -498.197
Base-Backbone interact. energy: 1.944
local terms energy: -530.925483
where:
bonds (distance) C4'-P energy: -102.313
bonds (distance) P-C4' energy: -99.608
flat angles C4'-P-C4' energy: -119.557
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -141.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1632.623197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.623197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.623197 (E_RNA)
where:
Base-Base interactions energy: -1110.063
where: short stacking energy: -482.675
Base-Backbone interact. energy: -1.396
local terms energy: -521.164510
where:
bonds (distance) C4'-P energy: -91.649
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -112.476
flat angles P-C4'-P energy: -77.283
tors. eta vs tors. theta energy: -146.564
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1531.843046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.843046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.843046 (E_RNA)
where:
Base-Base interactions energy: -1044.803
where: short stacking energy: -448.428
Base-Backbone interact. energy: -0.838
local terms energy: -486.202526
where:
bonds (distance) C4'-P energy: -90.359
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -74.775
tors. eta vs tors. theta energy: -123.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1330.625764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.625764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.625764 (E_RNA)
where:
Base-Base interactions energy: -880.522
where: short stacking energy: -371.486
Base-Backbone interact. energy: -2.357
local terms energy: -447.746513
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -86.417
flat angles C4'-P-C4' energy: -94.599
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -90.549
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: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1078.780292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.780292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.780292 (E_RNA)
where:
Base-Base interactions energy: -660.014
where: short stacking energy: -284.680
Base-Backbone interact. energy: -1.950
local terms energy: -416.816083
where:
bonds (distance) C4'-P energy: -98.908
bonds (distance) P-C4' energy: -99.678
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -54.149
tors. eta vs tors. theta energy: -66.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1215.806344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.806344 (E_RNA)
where:
Base-Base interactions energy: -788.504
where: short stacking energy: -340.626
Base-Backbone interact. energy: 3.233
local terms energy: -430.535376
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -85.052
flat angles C4'-P-C4' energy: -109.068
flat angles P-C4'-P energy: -49.377
tors. eta vs tors. theta energy: -85.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -527.850155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.850155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.850155 (E_RNA)
where:
Base-Base interactions energy: -242.519
where: short stacking energy: -172.123
Base-Backbone interact. energy: 3.168
local terms energy: -288.499048
where:
bonds (distance) C4'-P energy: -85.862
bonds (distance) P-C4' energy: -99.274
flat angles C4'-P-C4' energy: -69.035
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: 6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1873.464397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.464397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.464397 (E_RNA)
where:
Base-Base interactions energy: -1275.900
where: short stacking energy: -564.902
Base-Backbone interact. energy: -1.690
local terms energy: -595.873912
where:
bonds (distance) C4'-P energy: -106.098
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -129.677
flat angles P-C4'-P energy: -76.063
tors. eta vs tors. theta energy: -167.304
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: 321
Temperature: 0.950000
Total energy: -1790.360488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.360488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.360488 (E_RNA)
where:
Base-Base interactions energy: -1231.723
where: short stacking energy: -540.754
Base-Backbone interact. energy: 0.562
local terms energy: -559.199689
where:
bonds (distance) C4'-P energy: -110.545
bonds (distance) P-C4' energy: -99.118
flat angles C4'-P-C4' energy: -114.721
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -156.575
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1769.016751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.016751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.016751 (E_RNA)
where:
Base-Base interactions energy: -1179.878
where: short stacking energy: -537.478
Base-Backbone interact. energy: -0.283
local terms energy: -588.855407
where:
bonds (distance) C4'-P energy: -94.208
bonds (distance) P-C4' energy: -122.230
flat angles C4'-P-C4' energy: -123.607
flat angles P-C4'-P energy: -84.573
tors. eta vs tors. theta energy: -164.237
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: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1664.271713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.271713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.271713 (E_RNA)
where:
Base-Base interactions energy: -1137.381
where: short stacking energy: -476.375
Base-Backbone interact. energy: 0.156
local terms energy: -527.047045
where:
bonds (distance) C4'-P energy: -107.259
bonds (distance) P-C4' energy: -88.356
flat angles C4'-P-C4' energy: -104.066
flat angles P-C4'-P energy: -75.003
tors. eta vs tors. theta energy: -152.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1647.255238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.255238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.255238 (E_RNA)
where:
Base-Base interactions energy: -1141.413
where: short stacking energy: -478.543
Base-Backbone interact. energy: -4.028
local terms energy: -501.814498
where:
bonds (distance) C4'-P energy: -94.498
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -118.598
flat angles P-C4'-P energy: -61.741
tors. eta vs tors. theta energy: -136.849
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1526.645642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.645642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.645642 (E_RNA)
where:
Base-Base interactions energy: -1016.581
where: short stacking energy: -433.371
Base-Backbone interact. energy: -3.000
local terms energy: -507.064629
where:
bonds (distance) C4'-P energy: -94.222
bonds (distance) P-C4' energy: -106.269
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -87.395
tors. eta vs tors. theta energy: -118.547
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: 321
Temperature: 1.200000
Total energy: -1314.230967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.230967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.230967 (E_RNA)
where:
Base-Base interactions energy: -895.802
where: short stacking energy: -375.695
Base-Backbone interact. energy: 1.716
local terms energy: -420.144172
where:
bonds (distance) C4'-P energy: -78.116
bonds (distance) P-C4' energy: -80.906
flat angles C4'-P-C4' energy: -101.004
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -87.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1229.344103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.344103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.344103 (E_RNA)
where:
Base-Base interactions energy: -807.472
where: short stacking energy: -364.528
Base-Backbone interact. energy: -0.910
local terms energy: -420.962700
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -94.901
flat angles C4'-P-C4' energy: -84.309
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -87.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1070.735652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.735652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.735652 (E_RNA)
where:
Base-Base interactions energy: -669.188
where: short stacking energy: -310.407
Base-Backbone interact. energy: -0.453
local terms energy: -401.094585
where:
bonds (distance) C4'-P energy: -93.921
bonds (distance) P-C4' energy: -83.460
flat angles C4'-P-C4' energy: -95.148
flat angles P-C4'-P energy: -60.726
tors. eta vs tors. theta energy: -67.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -494.789661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.789661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.789661 (E_RNA)
where:
Base-Base interactions energy: -215.543
where: short stacking energy: -122.862
Base-Backbone interact. energy: 0.626
local terms energy: -279.872908
where:
bonds (distance) C4'-P energy: -64.648
bonds (distance) P-C4' energy: -95.775
flat angles C4'-P-C4' energy: -76.095
flat angles P-C4'-P energy: -47.011
tors. eta vs tors. theta energy: 3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1845.469639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.469639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.469639 (E_RNA)
where:
Base-Base interactions energy: -1267.593
where: short stacking energy: -557.557
Base-Backbone interact. energy: -0.858
local terms energy: -577.018948
where:
bonds (distance) C4'-P energy: -103.987
bonds (distance) P-C4' energy: -94.528
flat angles C4'-P-C4' energy: -120.551
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -172.086
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: 322
Temperature: 0.950000
Total energy: -1817.393797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.393797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.393797 (E_RNA)
where:
Base-Base interactions energy: -1245.506
where: short stacking energy: -525.562
Base-Backbone interact. energy: -2.645
local terms energy: -569.243043
where:
bonds (distance) C4'-P energy: -107.100
bonds (distance) P-C4' energy: -105.363
flat angles C4'-P-C4' energy: -127.210
flat angles P-C4'-P energy: -68.027
tors. eta vs tors. theta energy: -161.543
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1747.663602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.663602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.663602 (E_RNA)
where:
Base-Base interactions energy: -1163.484
where: short stacking energy: -515.286
Base-Backbone interact. energy: -3.052
local terms energy: -581.127305
where:
bonds (distance) C4'-P energy: -112.665
bonds (distance) P-C4' energy: -103.636
flat angles C4'-P-C4' energy: -126.129
flat angles P-C4'-P energy: -83.302
tors. eta vs tors. theta energy: -155.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1667.114964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.114964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.114964 (E_RNA)
where:
Base-Base interactions energy: -1128.722
where: short stacking energy: -514.259
Base-Backbone interact. energy: -1.583
local terms energy: -536.809824
where:
bonds (distance) C4'-P energy: -96.369
bonds (distance) P-C4' energy: -100.094
flat angles C4'-P-C4' energy: -110.343
flat angles P-C4'-P energy: -78.538
tors. eta vs tors. theta energy: -151.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1657.228298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.228298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.228298 (E_RNA)
where:
Base-Base interactions energy: -1145.097
where: short stacking energy: -506.788
Base-Backbone interact. energy: -2.270
local terms energy: -509.860480
where:
bonds (distance) C4'-P energy: -102.142
bonds (distance) P-C4' energy: -85.640
flat angles C4'-P-C4' energy: -112.351
flat angles P-C4'-P energy: -66.948
tors. eta vs tors. theta energy: -142.780
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: 322
Temperature: 1.150000
Total energy: -1560.455177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.455177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.455177 (E_RNA)
where:
Base-Base interactions energy: -1067.033
where: short stacking energy: -464.222
Base-Backbone interact. energy: -1.407
local terms energy: -492.014589
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -89.576
flat angles C4'-P-C4' energy: -109.630
flat angles P-C4'-P energy: -77.043
tors. eta vs tors. theta energy: -131.036
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: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1343.571991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.571991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.571991 (E_RNA)
where:
Base-Base interactions energy: -893.994
where: short stacking energy: -379.431
Base-Backbone interact. energy: 0.347
local terms energy: -449.925278
where:
bonds (distance) C4'-P energy: -76.537
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -105.150
flat angles P-C4'-P energy: -68.770
tors. eta vs tors. theta energy: -103.373
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: 322
Temperature: 1.250000
Total energy: -1167.547366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.547366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.547366 (E_RNA)
where:
Base-Base interactions energy: -749.545
where: short stacking energy: -330.460
Base-Backbone interact. energy: 2.305
local terms energy: -420.306747
where:
bonds (distance) C4'-P energy: -81.978
bonds (distance) P-C4' energy: -94.413
flat angles C4'-P-C4' energy: -107.200
flat angles P-C4'-P energy: -59.652
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1089.505911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.505911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.505911 (E_RNA)
where:
Base-Base interactions energy: -705.290
where: short stacking energy: -315.459
Base-Backbone interact. energy: -0.535
local terms energy: -383.680952
where:
bonds (distance) C4'-P energy: -78.769
bonds (distance) P-C4' energy: -85.178
flat angles C4'-P-C4' energy: -96.162
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -491.876042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.876042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.876042 (E_RNA)
where:
Base-Base interactions energy: -231.497
where: short stacking energy: -140.798
Base-Backbone interact. energy: 2.234
local terms energy: -262.612772
where:
bonds (distance) C4'-P energy: -83.891
bonds (distance) P-C4' energy: -78.366
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -47.503
tors. eta vs tors. theta energy: 14.338
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1837.897098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.897098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.897098 (E_RNA)
where:
Base-Base interactions energy: -1249.468
where: short stacking energy: -542.123
Base-Backbone interact. energy: 2.588
local terms energy: -591.016992
where:
bonds (distance) C4'-P energy: -104.122
bonds (distance) P-C4' energy: -106.153
flat angles C4'-P-C4' energy: -126.946
flat angles P-C4'-P energy: -95.091
tors. eta vs tors. theta energy: -158.706
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1816.392583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.392583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.392583 (E_RNA)
where:
Base-Base interactions energy: -1264.389
where: short stacking energy: -533.583
Base-Backbone interact. energy: -0.697
local terms energy: -551.306889
where:
bonds (distance) C4'-P energy: -103.852
bonds (distance) P-C4' energy: -88.178
flat angles C4'-P-C4' energy: -117.593
flat angles P-C4'-P energy: -79.258
tors. eta vs tors. theta energy: -162.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1736.621226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.621226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.621226 (E_RNA)
where:
Base-Base interactions energy: -1182.172
where: short stacking energy: -535.056
Base-Backbone interact. energy: -1.980
local terms energy: -552.469270
where:
bonds (distance) C4'-P energy: -92.867
bonds (distance) P-C4' energy: -106.451
flat angles C4'-P-C4' energy: -117.947
flat angles P-C4'-P energy: -79.790
tors. eta vs tors. theta energy: -155.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1658.178317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.178317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.178317 (E_RNA)
where:
Base-Base interactions energy: -1136.348
where: short stacking energy: -489.404
Base-Backbone interact. energy: 1.264
local terms energy: -523.094347
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -98.700
flat angles C4'-P-C4' energy: -100.633
flat angles P-C4'-P energy: -83.504
tors. eta vs tors. theta energy: -144.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1625.124755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.124755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.124755 (E_RNA)
where:
Base-Base interactions energy: -1085.979
where: short stacking energy: -477.116
Base-Backbone interact. energy: -1.748
local terms energy: -537.397667
where:
bonds (distance) C4'-P energy: -108.246
bonds (distance) P-C4' energy: -91.892
flat angles C4'-P-C4' energy: -120.937
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -141.269
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: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1535.132684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.132684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.132684 (E_RNA)
where:
Base-Base interactions energy: -1030.425
where: short stacking energy: -441.173
Base-Backbone interact. energy: 0.534
local terms energy: -505.242232
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -104.378
flat angles C4'-P-C4' energy: -114.512
flat angles P-C4'-P energy: -77.669
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1343.089235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.089235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.089235 (E_RNA)
where:
Base-Base interactions energy: -899.076
where: short stacking energy: -385.280
Base-Backbone interact. energy: -1.213
local terms energy: -442.800090
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -101.859
flat angles P-C4'-P energy: -55.872
tors. eta vs tors. theta energy: -97.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1142.239727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.239727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.239727 (E_RNA)
where:
Base-Base interactions energy: -739.014
where: short stacking energy: -314.887
Base-Backbone interact. energy: 9.361
local terms energy: -412.586982
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -78.479
flat angles C4'-P-C4' energy: -108.126
flat angles P-C4'-P energy: -65.109
tors. eta vs tors. theta energy: -71.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1085.958285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.958285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.958285 (E_RNA)
where:
Base-Base interactions energy: -686.811
where: short stacking energy: -321.530
Base-Backbone interact. energy: 1.101
local terms energy: -400.248108
where:
bonds (distance) C4'-P energy: -82.110
bonds (distance) P-C4' energy: -98.926
flat angles C4'-P-C4' energy: -98.469
flat angles P-C4'-P energy: -55.757
tors. eta vs tors. theta energy: -64.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -495.376077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.376077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.376077 (E_RNA)
where:
Base-Base interactions energy: -215.556
where: short stacking energy: -127.548
Base-Backbone interact. energy: 4.668
local terms energy: -284.488372
where:
bonds (distance) C4'-P energy: -94.473
bonds (distance) P-C4' energy: -91.802
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: 22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1859.197947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.197947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.197947 (E_RNA)
where:
Base-Base interactions energy: -1269.721
where: short stacking energy: -563.381
Base-Backbone interact. energy: -0.288
local terms energy: -589.189272
where:
bonds (distance) C4'-P energy: -111.750
bonds (distance) P-C4' energy: -98.646
flat angles C4'-P-C4' energy: -121.369
flat angles P-C4'-P energy: -90.932
tors. eta vs tors. theta energy: -166.492
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: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1789.489918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.489918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.489918 (E_RNA)
where:
Base-Base interactions energy: -1177.256
where: short stacking energy: -533.322
Base-Backbone interact. energy: -2.622
local terms energy: -609.611205
where:
bonds (distance) C4'-P energy: -111.823
bonds (distance) P-C4' energy: -121.132
flat angles C4'-P-C4' energy: -125.617
flat angles P-C4'-P energy: -94.839
tors. eta vs tors. theta energy: -156.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1706.057267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.057267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.057267 (E_RNA)
where:
Base-Base interactions energy: -1185.855
where: short stacking energy: -516.368
Base-Backbone interact. energy: -2.057
local terms energy: -518.145962
where:
bonds (distance) C4'-P energy: -100.460
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -102.547
flat angles P-C4'-P energy: -74.288
tors. eta vs tors. theta energy: -152.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1663.077523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.077523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.077523 (E_RNA)
where:
Base-Base interactions energy: -1130.894
where: short stacking energy: -492.408
Base-Backbone interact. energy: -1.264
local terms energy: -530.919199
where:
bonds (distance) C4'-P energy: -96.643
bonds (distance) P-C4' energy: -95.831
flat angles C4'-P-C4' energy: -117.255
flat angles P-C4'-P energy: -78.310
tors. eta vs tors. theta energy: -142.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1593.689301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.689301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.689301 (E_RNA)
where:
Base-Base interactions energy: -1109.957
where: short stacking energy: -451.167
Base-Backbone interact. energy: 1.158
local terms energy: -484.890087
where:
bonds (distance) C4'-P energy: -88.104
bonds (distance) P-C4' energy: -97.310
flat angles C4'-P-C4' energy: -101.715
flat angles P-C4'-P energy: -61.929
tors. eta vs tors. theta energy: -135.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1573.064502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.064502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.064502 (E_RNA)
where:
Base-Base interactions energy: -1071.074
where: short stacking energy: -494.873
Base-Backbone interact. energy: -1.037
local terms energy: -500.953959
where:
bonds (distance) C4'-P energy: -89.543
bonds (distance) P-C4' energy: -102.514
flat angles C4'-P-C4' energy: -108.496
flat angles P-C4'-P energy: -64.563
tors. eta vs tors. theta energy: -135.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1250.474982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.474982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.474982 (E_RNA)
where:
Base-Base interactions energy: -839.723
where: short stacking energy: -357.477
Base-Backbone interact. energy: -2.709
local terms energy: -408.042412
where:
bonds (distance) C4'-P energy: -78.401
bonds (distance) P-C4' energy: -87.227
flat angles C4'-P-C4' energy: -110.537
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -83.670
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: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1176.332066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.332066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.332066 (E_RNA)
where:
Base-Base interactions energy: -773.610
where: short stacking energy: -338.831
Base-Backbone interact. energy: 0.562
local terms energy: -403.283498
where:
bonds (distance) C4'-P energy: -84.738
bonds (distance) P-C4' energy: -89.748
flat angles C4'-P-C4' energy: -97.457
flat angles P-C4'-P energy: -54.935
tors. eta vs tors. theta energy: -76.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1019.285047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.285047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.285047 (E_RNA)
where:
Base-Base interactions energy: -669.618
where: short stacking energy: -289.116
Base-Backbone interact. energy: 0.744
local terms energy: -350.410592
where:
bonds (distance) C4'-P energy: -86.841
bonds (distance) P-C4' energy: -76.509
flat angles C4'-P-C4' energy: -94.582
flat angles P-C4'-P energy: -47.850
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -535.792919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.792919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.792919 (E_RNA)
where:
Base-Base interactions energy: -231.259
where: short stacking energy: -156.269
Base-Backbone interact. energy: -1.277
local terms energy: -303.256630
where:
bonds (distance) C4'-P energy: -87.975
bonds (distance) P-C4' energy: -85.648
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: 0.374
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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1859.165490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.165490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.165490 (E_RNA)
where:
Base-Base interactions energy: -1266.167
where: short stacking energy: -561.564
Base-Backbone interact. energy: -1.302
local terms energy: -591.697073
where:
bonds (distance) C4'-P energy: -115.939
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -113.163
flat angles P-C4'-P energy: -91.152
tors. eta vs tors. theta energy: -164.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1835.193951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.193951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.193951 (E_RNA)
where:
Base-Base interactions energy: -1271.785
where: short stacking energy: -549.593
Base-Backbone interact. energy: 0.340
local terms energy: -563.748547
where:
bonds (distance) C4'-P energy: -100.020
bonds (distance) P-C4' energy: -112.716
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -82.496
tors. eta vs tors. theta energy: -150.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1730.023571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.023571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.023571 (E_RNA)
where:
Base-Base interactions energy: -1190.824
where: short stacking energy: -520.577
Base-Backbone interact. energy: -2.080
local terms energy: -537.119647
where:
bonds (distance) C4'-P energy: -104.415
bonds (distance) P-C4' energy: -94.705
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -80.528
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1671.709118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.709118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.709118 (E_RNA)
where:
Base-Base interactions energy: -1124.481
where: short stacking energy: -505.591
Base-Backbone interact. energy: -0.104
local terms energy: -547.124078
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -120.055
flat angles P-C4'-P energy: -79.102
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1591.309617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.309617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.309617 (E_RNA)
where:
Base-Base interactions energy: -1094.246
where: short stacking energy: -471.912
Base-Backbone interact. energy: 6.236
local terms energy: -503.300166
where:
bonds (distance) C4'-P energy: -95.042
bonds (distance) P-C4' energy: -88.498
flat angles C4'-P-C4' energy: -109.140
flat angles P-C4'-P energy: -71.240
tors. eta vs tors. theta energy: -139.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1565.819699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.819699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.819699 (E_RNA)
where:
Base-Base interactions energy: -1040.121
where: short stacking energy: -449.825
Base-Backbone interact. energy: -0.855
local terms energy: -524.843549
where:
bonds (distance) C4'-P energy: -94.030
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -112.783
flat angles P-C4'-P energy: -73.280
tors. eta vs tors. theta energy: -132.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1283.262446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.262446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.262446 (E_RNA)
where:
Base-Base interactions energy: -836.458
where: short stacking energy: -334.534
Base-Backbone interact. energy: 1.505
local terms energy: -448.309806
where:
bonds (distance) C4'-P energy: -102.901
bonds (distance) P-C4' energy: -103.294
flat angles C4'-P-C4' energy: -97.054
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -83.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1204.490584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.490584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.490584 (E_RNA)
where:
Base-Base interactions energy: -805.571
where: short stacking energy: -346.234
Base-Backbone interact. energy: 0.471
local terms energy: -399.389953
where:
bonds (distance) C4'-P energy: -82.374
bonds (distance) P-C4' energy: -93.482
flat angles C4'-P-C4' energy: -87.406
flat angles P-C4'-P energy: -57.662
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: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1066.187357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.187357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.187357 (E_RNA)
where:
Base-Base interactions energy: -715.750
where: short stacking energy: -304.516
Base-Backbone interact. energy: -1.833
local terms energy: -348.604559
where:
bonds (distance) C4'-P energy: -77.524
bonds (distance) P-C4' energy: -97.928
flat angles C4'-P-C4' energy: -70.579
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -65.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -518.700745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.700745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.700745 (E_RNA)
where:
Base-Base interactions energy: -232.930
where: short stacking energy: -157.917
Base-Backbone interact. energy: 1.058
local terms energy: -286.828107
where:
bonds (distance) C4'-P energy: -82.462
bonds (distance) P-C4' energy: -93.077
flat angles C4'-P-C4' energy: -78.004
flat angles P-C4'-P energy: -49.653
tors. eta vs tors. theta energy: 16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1845.280136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.280136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.280136 (E_RNA)
where:
Base-Base interactions energy: -1272.771
where: short stacking energy: -570.843
Base-Backbone interact. energy: -2.448
local terms energy: -570.061711
where:
bonds (distance) C4'-P energy: -107.819
bonds (distance) P-C4' energy: -102.505
flat angles C4'-P-C4' energy: -112.319
flat angles P-C4'-P energy: -85.485
tors. eta vs tors. theta energy: -161.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1803.873216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.873216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.873216 (E_RNA)
where:
Base-Base interactions energy: -1260.794
where: short stacking energy: -544.050
Base-Backbone interact. energy: -0.585
local terms energy: -542.493990
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -109.256
flat angles C4'-P-C4' energy: -115.763
flat angles P-C4'-P energy: -68.232
tors. eta vs tors. theta energy: -149.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1718.125381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.125381 (E_RNA)
where:
Base-Base interactions energy: -1193.177
where: short stacking energy: -511.716
Base-Backbone interact. energy: 2.826
local terms energy: -527.774720
where:
bonds (distance) C4'-P energy: -89.098
bonds (distance) P-C4' energy: -100.217
flat angles C4'-P-C4' energy: -110.828
flat angles P-C4'-P energy: -75.978
tors. eta vs tors. theta energy: -151.654
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: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1661.990127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.990127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.990127 (E_RNA)
where:
Base-Base interactions energy: -1139.353
where: short stacking energy: -493.690
Base-Backbone interact. energy: -1.644
local terms energy: -520.993442
where:
bonds (distance) C4'-P energy: -98.969
bonds (distance) P-C4' energy: -106.364
flat angles C4'-P-C4' energy: -106.205
flat angles P-C4'-P energy: -68.819
tors. eta vs tors. theta energy: -140.636
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1619.622298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.622298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.622298 (E_RNA)
where:
Base-Base interactions energy: -1089.564
where: short stacking energy: -467.347
Base-Backbone interact. energy: -0.184
local terms energy: -529.874561
where:
bonds (distance) C4'-P energy: -97.658
bonds (distance) P-C4' energy: -96.057
flat angles C4'-P-C4' energy: -112.374
flat angles P-C4'-P energy: -80.226
tors. eta vs tors. theta energy: -143.560
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: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1527.492803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.492803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.492803 (E_RNA)
where:
Base-Base interactions energy: -1029.423
where: short stacking energy: -439.778
Base-Backbone interact. energy: 2.238
local terms energy: -500.307172
where:
bonds (distance) C4'-P energy: -94.481
bonds (distance) P-C4' energy: -95.290
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -72.962
tors. eta vs tors. theta energy: -127.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1287.937425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.937425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.937425 (E_RNA)
where:
Base-Base interactions energy: -873.163
where: short stacking energy: -383.102
Base-Backbone interact. energy: 2.702
local terms energy: -417.476629
where:
bonds (distance) C4'-P energy: -79.151
bonds (distance) P-C4' energy: -95.765
flat angles C4'-P-C4' energy: -103.197
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -89.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1225.123783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.123783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.123783 (E_RNA)
where:
Base-Base interactions energy: -793.119
where: short stacking energy: -335.646
Base-Backbone interact. energy: -4.792
local terms energy: -427.213298
where:
bonds (distance) C4'-P energy: -100.882
bonds (distance) P-C4' energy: -75.480
flat angles C4'-P-C4' energy: -95.835
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -80.710
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: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1103.154416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.154416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.154416 (E_RNA)
where:
Base-Base interactions energy: -711.182
where: short stacking energy: -290.626
Base-Backbone interact. energy: -1.001
local terms energy: -390.971192
where:
bonds (distance) C4'-P energy: -84.406
bonds (distance) P-C4' energy: -85.135
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -64.234
tors. eta vs tors. theta energy: -72.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -414.112215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.112215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.112215 (E_RNA)
where:
Base-Base interactions energy: -129.128
where: short stacking energy: -100.478
Base-Backbone interact. energy: -2.450
local terms energy: -282.534563
where:
bonds (distance) C4'-P energy: -102.606
bonds (distance) P-C4' energy: -86.479
flat angles C4'-P-C4' energy: -75.226
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: 26.815
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: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1840.029657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.029657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.029657 (E_RNA)
where:
Base-Base interactions energy: -1249.418
where: short stacking energy: -542.600
Base-Backbone interact. energy: 0.355
local terms energy: -590.967555
where:
bonds (distance) C4'-P energy: -104.983
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -128.667
flat angles P-C4'-P energy: -80.851
tors. eta vs tors. theta energy: -161.310
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1800.750726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.750726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.750726 (E_RNA)
where:
Base-Base interactions energy: -1220.335
where: short stacking energy: -530.210
Base-Backbone interact. energy: -0.320
local terms energy: -580.095509
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -111.831
flat angles P-C4'-P energy: -78.223
tors. eta vs tors. theta energy: -168.193
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1729.942675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.942675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.942675 (E_RNA)
where:
Base-Base interactions energy: -1188.425
where: short stacking energy: -525.386
Base-Backbone interact. energy: -1.060
local terms energy: -540.458489
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -103.080
flat angles C4'-P-C4' energy: -118.825
flat angles P-C4'-P energy: -73.390
tors. eta vs tors. theta energy: -155.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1712.929237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.929237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.929237 (E_RNA)
where:
Base-Base interactions energy: -1175.851
where: short stacking energy: -519.926
Base-Backbone interact. energy: -2.490
local terms energy: -534.588142
where:
bonds (distance) C4'-P energy: -93.102
bonds (distance) P-C4' energy: -98.649
flat angles C4'-P-C4' energy: -109.896
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -153.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1635.321144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.321144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.321144 (E_RNA)
where:
Base-Base interactions energy: -1090.432
where: short stacking energy: -500.189
Base-Backbone interact. energy: 0.685
local terms energy: -545.573499
where:
bonds (distance) C4'-P energy: -104.950
bonds (distance) P-C4' energy: -101.763
flat angles C4'-P-C4' energy: -115.274
flat angles P-C4'-P energy: -69.063
tors. eta vs tors. theta energy: -154.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1508.468327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.468327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.468327 (E_RNA)
where:
Base-Base interactions energy: -1020.297
where: short stacking energy: -437.508
Base-Backbone interact. energy: -0.081
local terms energy: -488.089997
where:
bonds (distance) C4'-P energy: -97.932
bonds (distance) P-C4' energy: -106.158
flat angles C4'-P-C4' energy: -106.187
flat angles P-C4'-P energy: -60.196
tors. eta vs tors. theta energy: -117.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1262.410523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.410523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.410523 (E_RNA)
where:
Base-Base interactions energy: -856.296
where: short stacking energy: -359.615
Base-Backbone interact. energy: -1.506
local terms energy: -404.608753
where:
bonds (distance) C4'-P energy: -85.369
bonds (distance) P-C4' energy: -87.805
flat angles C4'-P-C4' energy: -88.187
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -81.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1141.155095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.155095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.155095 (E_RNA)
where:
Base-Base interactions energy: -723.517
where: short stacking energy: -326.900
Base-Backbone interact. energy: 2.519
local terms energy: -420.156334
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -104.577
flat angles C4'-P-C4' energy: -101.823
flat angles P-C4'-P energy: -49.516
tors. eta vs tors. theta energy: -71.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1072.978373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.978373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.978373 (E_RNA)
where:
Base-Base interactions energy: -695.118
where: short stacking energy: -296.809
Base-Backbone interact. energy: 1.452
local terms energy: -379.312465
where:
bonds (distance) C4'-P energy: -82.931
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -96.229
flat angles P-C4'-P energy: -48.335
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -462.162439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.162439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.162439 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -122.731
Base-Backbone interact. energy: 2.193
local terms energy: -310.085683
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -75.616
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: 22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1866.123177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.123177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.123177 (E_RNA)
where:
Base-Base interactions energy: -1281.723
where: short stacking energy: -551.173
Base-Backbone interact. energy: -0.989
local terms energy: -583.410613
where:
bonds (distance) C4'-P energy: -109.866
bonds (distance) P-C4' energy: -103.874
flat angles C4'-P-C4' energy: -129.529
flat angles P-C4'-P energy: -84.299
tors. eta vs tors. theta energy: -155.843
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: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1823.314415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.314415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.314415 (E_RNA)
where:
Base-Base interactions energy: -1226.620
where: short stacking energy: -552.492
Base-Backbone interact. energy: -2.976
local terms energy: -593.717775
where:
bonds (distance) C4'-P energy: -117.274
bonds (distance) P-C4' energy: -103.684
flat angles C4'-P-C4' energy: -122.499
flat angles P-C4'-P energy: -87.205
tors. eta vs tors. theta energy: -163.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1741.216646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.216646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.216646 (E_RNA)
where:
Base-Base interactions energy: -1177.802
where: short stacking energy: -519.108
Base-Backbone interact. energy: -2.886
local terms energy: -560.528601
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -96.529
flat angles C4'-P-C4' energy: -125.284
flat angles P-C4'-P energy: -84.779
tors. eta vs tors. theta energy: -160.361
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: 328
Temperature: 1.050000
Total energy: -1686.109458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.109458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.109458 (E_RNA)
where:
Base-Base interactions energy: -1163.756
where: short stacking energy: -522.831
Base-Backbone interact. energy: -1.034
local terms energy: -521.319874
where:
bonds (distance) C4'-P energy: -97.779
bonds (distance) P-C4' energy: -97.408
flat angles C4'-P-C4' energy: -105.805
flat angles P-C4'-P energy: -70.900
tors. eta vs tors. theta energy: -149.428
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: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1626.286017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.286017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.286017 (E_RNA)
where:
Base-Base interactions energy: -1123.319
where: short stacking energy: -499.083
Base-Backbone interact. energy: -2.375
local terms energy: -500.591323
where:
bonds (distance) C4'-P energy: -111.422
bonds (distance) P-C4' energy: -73.690
flat angles C4'-P-C4' energy: -118.042
flat angles P-C4'-P energy: -62.734
tors. eta vs tors. theta energy: -134.704
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: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1541.511461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.511461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.511461 (E_RNA)
where:
Base-Base interactions energy: -1042.262
where: short stacking energy: -443.051
Base-Backbone interact. energy: -0.912
local terms energy: -498.338135
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -98.429
flat angles C4'-P-C4' energy: -105.521
flat angles P-C4'-P energy: -69.142
tors. eta vs tors. theta energy: -119.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1251.329829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.329829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.329829 (E_RNA)
where:
Base-Base interactions energy: -815.253
where: short stacking energy: -369.703
Base-Backbone interact. energy: -1.269
local terms energy: -434.808210
where:
bonds (distance) C4'-P energy: -87.185
bonds (distance) P-C4' energy: -96.133
flat angles C4'-P-C4' energy: -97.113
flat angles P-C4'-P energy: -67.928
tors. eta vs tors. theta energy: -86.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1200.901951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.901951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.901951 (E_RNA)
where:
Base-Base interactions energy: -801.865
where: short stacking energy: -338.564
Base-Backbone interact. energy: -0.872
local terms energy: -398.165064
where:
bonds (distance) C4'-P energy: -89.944
bonds (distance) P-C4' energy: -87.764
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -56.630
tors. eta vs tors. theta energy: -82.487
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: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1051.344660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.344660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.344660 (E_RNA)
where:
Base-Base interactions energy: -656.235
where: short stacking energy: -291.056
Base-Backbone interact. energy: 2.710
local terms energy: -397.819714
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -98.055
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -51.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -445.471840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.471840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.471840 (E_RNA)
where:
Base-Base interactions energy: -135.523
where: short stacking energy: -115.410
Base-Backbone interact. energy: 0.827
local terms energy: -310.775833
where:
bonds (distance) C4'-P energy: -99.050
bonds (distance) P-C4' energy: -105.876
flat angles C4'-P-C4' energy: -69.853
flat angles P-C4'-P energy: -49.637
tors. eta vs tors. theta energy: 13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1856.276865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.276865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.276865 (E_RNA)
where:
Base-Base interactions energy: -1258.966
where: short stacking energy: -554.451
Base-Backbone interact. energy: -1.687
local terms energy: -595.624253
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -125.487
flat angles C4'-P-C4' energy: -126.441
flat angles P-C4'-P energy: -87.133
tors. eta vs tors. theta energy: -156.150
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: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1820.218131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.218131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.218131 (E_RNA)
where:
Base-Base interactions energy: -1246.384
where: short stacking energy: -541.313
Base-Backbone interact. energy: -2.865
local terms energy: -570.968640
where:
bonds (distance) C4'-P energy: -105.707
bonds (distance) P-C4' energy: -109.768
flat angles C4'-P-C4' energy: -117.268
flat angles P-C4'-P energy: -82.553
tors. eta vs tors. theta energy: -155.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1749.991985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.991985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.991985 (E_RNA)
where:
Base-Base interactions energy: -1177.953
where: short stacking energy: -545.595
Base-Backbone interact. energy: 1.491
local terms energy: -573.529854
where:
bonds (distance) C4'-P energy: -91.132
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -124.275
flat angles P-C4'-P energy: -81.092
tors. eta vs tors. theta energy: -167.762
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: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1650.756638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.756638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.756638 (E_RNA)
where:
Base-Base interactions energy: -1144.442
where: short stacking energy: -491.427
Base-Backbone interact. energy: -2.993
local terms energy: -503.321825
where:
bonds (distance) C4'-P energy: -91.271
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -105.104
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -138.294
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: 329
Temperature: 1.100000
Total energy: -1598.390685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.390685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.390685 (E_RNA)
where:
Base-Base interactions energy: -1070.743
where: short stacking energy: -464.065
Base-Backbone interact. energy: -1.153
local terms energy: -526.494436
where:
bonds (distance) C4'-P energy: -102.441
bonds (distance) P-C4' energy: -102.658
flat angles C4'-P-C4' energy: -117.170
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -137.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1500.231038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.231038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.231038 (E_RNA)
where:
Base-Base interactions energy: -1031.148
where: short stacking energy: -431.599
Base-Backbone interact. energy: -0.432
local terms energy: -468.651819
where:
bonds (distance) C4'-P energy: -101.415
bonds (distance) P-C4' energy: -100.313
flat angles C4'-P-C4' energy: -89.474
flat angles P-C4'-P energy: -63.123
tors. eta vs tors. theta energy: -114.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1243.664879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.664879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.664879 (E_RNA)
where:
Base-Base interactions energy: -817.126
where: short stacking energy: -373.446
Base-Backbone interact. energy: -4.479
local terms energy: -422.059556
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -89.403
flat angles C4'-P-C4' energy: -102.775
flat angles P-C4'-P energy: -64.563
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1197.092350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.092350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.092350 (E_RNA)
where:
Base-Base interactions energy: -785.227
where: short stacking energy: -331.434
Base-Backbone interact. energy: -3.880
local terms energy: -407.985111
where:
bonds (distance) C4'-P energy: -99.920
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -93.266
flat angles P-C4'-P energy: -47.064
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: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -997.091226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.091226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.091226 (E_RNA)
where:
Base-Base interactions energy: -630.533
where: short stacking energy: -275.577
Base-Backbone interact. energy: 1.350
local terms energy: -367.907821
where:
bonds (distance) C4'-P energy: -94.500
bonds (distance) P-C4' energy: -88.318
flat angles C4'-P-C4' energy: -97.460
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -49.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -428.070527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.070527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.070527 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -109.706
Base-Backbone interact. energy: 3.430
local terms energy: -278.641461
where:
bonds (distance) C4'-P energy: -74.162
bonds (distance) P-C4' energy: -87.307
flat angles C4'-P-C4' energy: -84.029
flat angles P-C4'-P energy: -64.681
tors. eta vs tors. theta energy: 31.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1859.824704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.824704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.824704 (E_RNA)
where:
Base-Base interactions energy: -1263.166
where: short stacking energy: -565.668
Base-Backbone interact. energy: -2.067
local terms energy: -594.591839
where:
bonds (distance) C4'-P energy: -104.519
bonds (distance) P-C4' energy: -105.100
flat angles C4'-P-C4' energy: -117.940
flat angles P-C4'-P energy: -97.330
tors. eta vs tors. theta energy: -169.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1780.843290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.843290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.843290 (E_RNA)
where:
Base-Base interactions energy: -1219.957
where: short stacking energy: -526.784
Base-Backbone interact. energy: 0.940
local terms energy: -561.826063
where:
bonds (distance) C4'-P energy: -112.764
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -108.668
flat angles P-C4'-P energy: -87.583
tors. eta vs tors. theta energy: -156.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1735.406584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.406584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.406584 (E_RNA)
where:
Base-Base interactions energy: -1195.081
where: short stacking energy: -521.922
Base-Backbone interact. energy: -0.593
local terms energy: -539.732809
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -106.546
flat angles C4'-P-C4' energy: -105.603
flat angles P-C4'-P energy: -75.015
tors. eta vs tors. theta energy: -159.972
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: 330
Temperature: 1.050000
Total energy: -1694.913598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.913598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.913598 (E_RNA)
where:
Base-Base interactions energy: -1139.052
where: short stacking energy: -512.270
Base-Backbone interact. energy: -1.174
local terms energy: -554.688252
where:
bonds (distance) C4'-P energy: -104.887
bonds (distance) P-C4' energy: -96.241
flat angles C4'-P-C4' energy: -111.099
flat angles P-C4'-P energy: -81.214
tors. eta vs tors. theta energy: -161.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1611.936316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.936316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.936316 (E_RNA)
where:
Base-Base interactions energy: -1095.239
where: short stacking energy: -485.867
Base-Backbone interact. energy: -3.244
local terms energy: -513.453812
where:
bonds (distance) C4'-P energy: -86.959
bonds (distance) P-C4' energy: -101.329
flat angles C4'-P-C4' energy: -114.549
flat angles P-C4'-P energy: -70.374
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: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1474.297198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.297198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.297198 (E_RNA)
where:
Base-Base interactions energy: -990.442
where: short stacking energy: -432.629
Base-Backbone interact. energy: -3.383
local terms energy: -480.472774
where:
bonds (distance) C4'-P energy: -91.285
bonds (distance) P-C4' energy: -97.620
flat angles C4'-P-C4' energy: -114.806
flat angles P-C4'-P energy: -59.428
tors. eta vs tors. theta energy: -117.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1267.298396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.298396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.298396 (E_RNA)
where:
Base-Base interactions energy: -825.834
where: short stacking energy: -334.333
Base-Backbone interact. energy: -1.087
local terms energy: -440.377276
where:
bonds (distance) C4'-P energy: -99.528
bonds (distance) P-C4' energy: -90.674
flat angles C4'-P-C4' energy: -99.550
flat angles P-C4'-P energy: -66.447
tors. eta vs tors. theta energy: -84.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1214.970922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.970922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.970922 (E_RNA)
where:
Base-Base interactions energy: -812.316
where: short stacking energy: -368.687
Base-Backbone interact. energy: -0.564
local terms energy: -402.091043
where:
bonds (distance) C4'-P energy: -77.423
bonds (distance) P-C4' energy: -99.226
flat angles C4'-P-C4' energy: -89.305
flat angles P-C4'-P energy: -58.313
tors. eta vs tors. theta energy: -77.824
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -999.267594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.267594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.267594 (E_RNA)
where:
Base-Base interactions energy: -642.484
where: short stacking energy: -286.675
Base-Backbone interact. energy: 1.634
local terms energy: -358.418224
where:
bonds (distance) C4'-P energy: -82.846
bonds (distance) P-C4' energy: -85.190
flat angles C4'-P-C4' energy: -93.776
flat angles P-C4'-P energy: -47.499
tors. eta vs tors. theta energy: -49.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -443.075952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.075952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.075952 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -111.638
Base-Backbone interact. energy: 0.350
local terms energy: -294.656533
where:
bonds (distance) C4'-P energy: -72.060
bonds (distance) P-C4' energy: -100.567
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -67.109
tors. eta vs tors. theta energy: 14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1854.875243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.875243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.875243 (E_RNA)
where:
Base-Base interactions energy: -1285.198
where: short stacking energy: -550.165
Base-Backbone interact. energy: -0.904
local terms energy: -568.773362
where:
bonds (distance) C4'-P energy: -100.465
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -117.427
flat angles P-C4'-P energy: -82.218
tors. eta vs tors. theta energy: -160.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1783.779619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.779619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.779619 (E_RNA)
where:
Base-Base interactions energy: -1209.764
where: short stacking energy: -539.713
Base-Backbone interact. energy: -1.687
local terms energy: -572.329209
where:
bonds (distance) C4'-P energy: -97.356
bonds (distance) P-C4' energy: -100.921
flat angles C4'-P-C4' energy: -130.865
flat angles P-C4'-P energy: -81.663
tors. eta vs tors. theta energy: -161.525
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: 331
Temperature: 1.000000
Total energy: -1766.361055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.361055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.361055 (E_RNA)
where:
Base-Base interactions energy: -1200.091
where: short stacking energy: -531.190
Base-Backbone interact. energy: 1.194
local terms energy: -567.464598
where:
bonds (distance) C4'-P energy: -96.027
bonds (distance) P-C4' energy: -111.842
flat angles C4'-P-C4' energy: -114.697
flat angles P-C4'-P energy: -81.642
tors. eta vs tors. theta energy: -163.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1706.838534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.838534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.838534 (E_RNA)
where:
Base-Base interactions energy: -1176.508
where: short stacking energy: -526.988
Base-Backbone interact. energy: 2.107
local terms energy: -532.437596
where:
bonds (distance) C4'-P energy: -98.987
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -116.892
flat angles P-C4'-P energy: -72.128
tors. eta vs tors. theta energy: -150.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1648.893916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.893916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.893916 (E_RNA)
where:
Base-Base interactions energy: -1124.100
where: short stacking energy: -490.110
Base-Backbone interact. energy: 0.277
local terms energy: -525.070968
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -107.307
flat angles P-C4'-P energy: -72.997
tors. eta vs tors. theta energy: -155.592
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1466.784216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.784216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.784216 (E_RNA)
where:
Base-Base interactions energy: -984.036
where: short stacking energy: -431.531
Base-Backbone interact. energy: 0.838
local terms energy: -483.585925
where:
bonds (distance) C4'-P energy: -72.334
bonds (distance) P-C4' energy: -95.517
flat angles C4'-P-C4' energy: -114.207
flat angles P-C4'-P energy: -74.227
tors. eta vs tors. theta energy: -127.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1307.119766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.119766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.119766 (E_RNA)
where:
Base-Base interactions energy: -873.907
where: short stacking energy: -379.359
Base-Backbone interact. energy: -1.135
local terms energy: -432.077727
where:
bonds (distance) C4'-P energy: -70.117
bonds (distance) P-C4' energy: -90.635
flat angles C4'-P-C4' energy: -106.603
flat angles P-C4'-P energy: -68.645
tors. eta vs tors. theta energy: -96.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1223.268825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.268825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.268825 (E_RNA)
where:
Base-Base interactions energy: -813.169
where: short stacking energy: -346.695
Base-Backbone interact. energy: -2.159
local terms energy: -407.940608
where:
bonds (distance) C4'-P energy: -85.687
bonds (distance) P-C4' energy: -92.357
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -70.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1008.041268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.041268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.041268 (E_RNA)
where:
Base-Base interactions energy: -603.876
where: short stacking energy: -276.113
Base-Backbone interact. energy: -1.934
local terms energy: -402.231121
where:
bonds (distance) C4'-P energy: -96.926
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -96.734
flat angles P-C4'-P energy: -51.023
tors. eta vs tors. theta energy: -55.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -425.409990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.409990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.409990 (E_RNA)
where:
Base-Base interactions energy: -165.548
where: short stacking energy: -148.349
Base-Backbone interact. energy: -1.383
local terms energy: -258.478648
where:
bonds (distance) C4'-P energy: -71.809
bonds (distance) P-C4' energy: -86.389
flat angles C4'-P-C4' energy: -74.680
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: 3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1859.300184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.300184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.300184 (E_RNA)
where:
Base-Base interactions energy: -1282.596
where: short stacking energy: -558.242
Base-Backbone interact. energy: -3.441
local terms energy: -573.262504
where:
bonds (distance) C4'-P energy: -98.259
bonds (distance) P-C4' energy: -110.899
flat angles C4'-P-C4' energy: -123.875
flat angles P-C4'-P energy: -85.929
tors. eta vs tors. theta energy: -154.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1788.326543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.326543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.326543 (E_RNA)
where:
Base-Base interactions energy: -1206.764
where: short stacking energy: -532.534
Base-Backbone interact. energy: -4.413
local terms energy: -577.149371
where:
bonds (distance) C4'-P energy: -107.344
bonds (distance) P-C4' energy: -108.855
flat angles C4'-P-C4' energy: -123.104
flat angles P-C4'-P energy: -87.278
tors. eta vs tors. theta energy: -150.568
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: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1766.547472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.547472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.547472 (E_RNA)
where:
Base-Base interactions energy: -1200.239
where: short stacking energy: -534.515
Base-Backbone interact. energy: -1.181
local terms energy: -565.128077
where:
bonds (distance) C4'-P energy: -98.195
bonds (distance) P-C4' energy: -106.558
flat angles C4'-P-C4' energy: -112.743
flat angles P-C4'-P energy: -79.637
tors. eta vs tors. theta energy: -167.994
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: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1681.106847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.106847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.106847 (E_RNA)
where:
Base-Base interactions energy: -1129.554
where: short stacking energy: -511.180
Base-Backbone interact. energy: -0.444
local terms energy: -551.108611
where:
bonds (distance) C4'-P energy: -87.527
bonds (distance) P-C4' energy: -111.707
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -84.971
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: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1636.306952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.306952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.306952 (E_RNA)
where:
Base-Base interactions energy: -1113.755
where: short stacking energy: -496.527
Base-Backbone interact. energy: -4.154
local terms energy: -518.398518
where:
bonds (distance) C4'-P energy: -81.285
bonds (distance) P-C4' energy: -89.450
flat angles C4'-P-C4' energy: -118.406
flat angles P-C4'-P energy: -72.846
tors. eta vs tors. theta energy: -156.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1502.183479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.183479 (E_RNA)
where:
Base-Base interactions energy: -1011.915
where: short stacking energy: -456.010
Base-Backbone interact. energy: -1.342
local terms energy: -488.925726
where:
bonds (distance) C4'-P energy: -81.410
bonds (distance) P-C4' energy: -105.169
flat angles C4'-P-C4' energy: -100.306
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -129.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1332.713342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.713342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.713342 (E_RNA)
where:
Base-Base interactions energy: -888.122
where: short stacking energy: -385.877
Base-Backbone interact. energy: -1.134
local terms energy: -443.457112
where:
bonds (distance) C4'-P energy: -95.546
bonds (distance) P-C4' energy: -95.589
flat angles C4'-P-C4' energy: -95.180
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -95.580
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: 332
Temperature: 1.250000
Total energy: -1209.271076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.271076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.271076 (E_RNA)
where:
Base-Base interactions energy: -805.142
where: short stacking energy: -330.198
Base-Backbone interact. energy: 3.135
local terms energy: -407.264276
where:
bonds (distance) C4'-P energy: -86.860
bonds (distance) P-C4' energy: -86.721
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -74.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1042.639307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.639307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.639307 (E_RNA)
where:
Base-Base interactions energy: -683.108
where: short stacking energy: -320.867
Base-Backbone interact. energy: -0.821
local terms energy: -358.710493
where:
bonds (distance) C4'-P energy: -79.456
bonds (distance) P-C4' energy: -90.634
flat angles C4'-P-C4' energy: -75.336
flat angles P-C4'-P energy: -51.065
tors. eta vs tors. theta energy: -62.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -456.398631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.398631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.398631 (E_RNA)
where:
Base-Base interactions energy: -166.908
where: short stacking energy: -123.001
Base-Backbone interact. energy: 0.576
local terms energy: -290.067174
where:
bonds (distance) C4'-P energy: -87.981
bonds (distance) P-C4' energy: -92.458
flat angles C4'-P-C4' energy: -82.558
flat angles P-C4'-P energy: -37.246
tors. eta vs tors. theta energy: 10.176
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: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1886.705318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.705318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.705318 (E_RNA)
where:
Base-Base interactions energy: -1285.011
where: short stacking energy: -573.552
Base-Backbone interact. energy: -1.452
local terms energy: -600.242213
where:
bonds (distance) C4'-P energy: -106.976
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -137.826
flat angles P-C4'-P energy: -91.050
tors. eta vs tors. theta energy: -167.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1815.880405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.880405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.880405 (E_RNA)
where:
Base-Base interactions energy: -1265.361
where: short stacking energy: -556.234
Base-Backbone interact. energy: -5.665
local terms energy: -544.853959
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -104.857
flat angles C4'-P-C4' energy: -116.945
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -151.597
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1743.245497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.245497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.245497 (E_RNA)
where:
Base-Base interactions energy: -1210.345
where: short stacking energy: -530.695
Base-Backbone interact. energy: -1.368
local terms energy: -531.531888
where:
bonds (distance) C4'-P energy: -96.921
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -112.500
flat angles P-C4'-P energy: -72.883
tors. eta vs tors. theta energy: -155.313
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1692.136190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.136190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.136190 (E_RNA)
where:
Base-Base interactions energy: -1125.706
where: short stacking energy: -513.504
Base-Backbone interact. energy: -2.732
local terms energy: -563.698958
where:
bonds (distance) C4'-P energy: -99.701
bonds (distance) P-C4' energy: -107.549
flat angles C4'-P-C4' energy: -126.438
flat angles P-C4'-P energy: -84.021
tors. eta vs tors. theta energy: -145.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1646.527910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.527910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.527910 (E_RNA)
where:
Base-Base interactions energy: -1107.218
where: short stacking energy: -505.753
Base-Backbone interact. energy: -3.155
local terms energy: -536.155438
where:
bonds (distance) C4'-P energy: -98.077
bonds (distance) P-C4' energy: -103.524
flat angles C4'-P-C4' energy: -117.814
flat angles P-C4'-P energy: -69.792
tors. eta vs tors. theta energy: -146.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1501.268422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.268422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.268422 (E_RNA)
where:
Base-Base interactions energy: -993.937
where: short stacking energy: -423.154
Base-Backbone interact. energy: -2.593
local terms energy: -504.737821
where:
bonds (distance) C4'-P energy: -103.257
bonds (distance) P-C4' energy: -94.047
flat angles C4'-P-C4' energy: -108.299
flat angles P-C4'-P energy: -82.372
tors. eta vs tors. theta energy: -116.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1361.041462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.041462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.041462 (E_RNA)
where:
Base-Base interactions energy: -928.337
where: short stacking energy: -389.088
Base-Backbone interact. energy: 1.396
local terms energy: -434.100875
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -96.984
flat angles C4'-P-C4' energy: -94.253
flat angles P-C4'-P energy: -61.570
tors. eta vs tors. theta energy: -101.039
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: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1192.014342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.014342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.014342 (E_RNA)
where:
Base-Base interactions energy: -814.769
where: short stacking energy: -357.572
Base-Backbone interact. energy: 0.889
local terms energy: -378.134591
where:
bonds (distance) C4'-P energy: -77.837
bonds (distance) P-C4' energy: -91.990
flat angles C4'-P-C4' energy: -86.552
flat angles P-C4'-P energy: -49.744
tors. eta vs tors. theta energy: -72.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1047.302944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.302944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.302944 (E_RNA)
where:
Base-Base interactions energy: -682.637
where: short stacking energy: -288.722
Base-Backbone interact. energy: 5.087
local terms energy: -369.752984
where:
bonds (distance) C4'-P energy: -83.067
bonds (distance) P-C4' energy: -96.251
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -51.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -461.841244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.841244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.841244 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -132.478
Base-Backbone interact. energy: -0.665
local terms energy: -263.386537
where:
bonds (distance) C4'-P energy: -67.741
bonds (distance) P-C4' energy: -90.052
flat angles C4'-P-C4' energy: -77.754
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: 17.848
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: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1881.761182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.761182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.761182 (E_RNA)
where:
Base-Base interactions energy: -1306.904
where: short stacking energy: -578.487
Base-Backbone interact. energy: -4.431
local terms energy: -570.426005
where:
bonds (distance) C4'-P energy: -103.940
bonds (distance) P-C4' energy: -98.040
flat angles C4'-P-C4' energy: -119.023
flat angles P-C4'-P energy: -83.063
tors. eta vs tors. theta energy: -166.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1810.050487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.050487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.050487 (E_RNA)
where:
Base-Base interactions energy: -1242.827
where: short stacking energy: -546.638
Base-Backbone interact. energy: -3.950
local terms energy: -563.274019
where:
bonds (distance) C4'-P energy: -101.091
bonds (distance) P-C4' energy: -97.359
flat angles C4'-P-C4' energy: -116.936
flat angles P-C4'-P energy: -82.367
tors. eta vs tors. theta energy: -165.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1733.421462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.421462 (E_RNA)
where:
Base-Base interactions energy: -1179.963
where: short stacking energy: -519.986
Base-Backbone interact. energy: -2.375
local terms energy: -551.082722
where:
bonds (distance) C4'-P energy: -105.245
bonds (distance) P-C4' energy: -97.962
flat angles C4'-P-C4' energy: -120.470
flat angles P-C4'-P energy: -71.466
tors. eta vs tors. theta energy: -155.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1695.183234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.183234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.183234 (E_RNA)
where:
Base-Base interactions energy: -1149.712
where: short stacking energy: -515.008
Base-Backbone interact. energy: -0.923
local terms energy: -544.548121
where:
bonds (distance) C4'-P energy: -87.783
bonds (distance) P-C4' energy: -105.432
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -155.634
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1630.054903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.054903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.054903 (E_RNA)
where:
Base-Base interactions energy: -1103.110
where: short stacking energy: -504.903
Base-Backbone interact. energy: 0.023
local terms energy: -526.967717
where:
bonds (distance) C4'-P energy: -103.647
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -116.556
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -140.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1447.057352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.057352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.057352 (E_RNA)
where:
Base-Base interactions energy: -951.009
where: short stacking energy: -414.111
Base-Backbone interact. energy: -2.038
local terms energy: -494.010395
where:
bonds (distance) C4'-P energy: -104.810
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -115.001
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -112.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1337.123169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.123169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.123169 (E_RNA)
where:
Base-Base interactions energy: -904.615
where: short stacking energy: -393.372
Base-Backbone interact. energy: 0.601
local terms energy: -433.109041
where:
bonds (distance) C4'-P energy: -93.950
bonds (distance) P-C4' energy: -76.574
flat angles C4'-P-C4' energy: -84.780
flat angles P-C4'-P energy: -71.455
tors. eta vs tors. theta energy: -106.350
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: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1256.999649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.999649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.999649 (E_RNA)
where:
Base-Base interactions energy: -805.050
where: short stacking energy: -345.172
Base-Backbone interact. energy: -2.230
local terms energy: -449.719522
where:
bonds (distance) C4'-P energy: -95.104
bonds (distance) P-C4' energy: -87.209
flat angles C4'-P-C4' energy: -111.761
flat angles P-C4'-P energy: -71.240
tors. eta vs tors. theta energy: -84.406
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: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1062.001424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.001424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.001424 (E_RNA)
where:
Base-Base interactions energy: -686.938
where: short stacking energy: -303.589
Base-Backbone interact. energy: -2.870
local terms energy: -372.193463
where:
bonds (distance) C4'-P energy: -95.552
bonds (distance) P-C4' energy: -68.056
flat angles C4'-P-C4' energy: -86.251
flat angles P-C4'-P energy: -51.768
tors. eta vs tors. theta energy: -70.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -443.400058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.400058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.400058 (E_RNA)
where:
Base-Base interactions energy: -172.399
where: short stacking energy: -118.676
Base-Backbone interact. energy: 2.567
local terms energy: -273.567647
where:
bonds (distance) C4'-P energy: -70.761
bonds (distance) P-C4' energy: -81.038
flat angles C4'-P-C4' energy: -96.326
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: 11.813
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1890.480657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.480657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.480657 (E_RNA)
where:
Base-Base interactions energy: -1286.611
where: short stacking energy: -556.631
Base-Backbone interact. energy: 1.434
local terms energy: -605.303001
where:
bonds (distance) C4'-P energy: -108.567
bonds (distance) P-C4' energy: -112.847
flat angles C4'-P-C4' energy: -126.621
flat angles P-C4'-P energy: -91.945
tors. eta vs tors. theta energy: -165.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1802.721678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.721678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.721678 (E_RNA)
where:
Base-Base interactions energy: -1234.466
where: short stacking energy: -536.676
Base-Backbone interact. energy: -4.154
local terms energy: -564.102160
where:
bonds (distance) C4'-P energy: -101.213
bonds (distance) P-C4' energy: -110.997
flat angles C4'-P-C4' energy: -116.923
flat angles P-C4'-P energy: -81.202
tors. eta vs tors. theta energy: -153.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1797.109044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.109044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.109044 (E_RNA)
where:
Base-Base interactions energy: -1221.300
where: short stacking energy: -544.818
Base-Backbone interact. energy: -0.891
local terms energy: -574.918521
where:
bonds (distance) C4'-P energy: -103.110
bonds (distance) P-C4' energy: -98.068
flat angles C4'-P-C4' energy: -118.691
flat angles P-C4'-P energy: -88.937
tors. eta vs tors. theta energy: -166.113
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: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1687.824562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.824562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.824562 (E_RNA)
where:
Base-Base interactions energy: -1143.876
where: short stacking energy: -514.492
Base-Backbone interact. energy: 0.252
local terms energy: -544.200738
where:
bonds (distance) C4'-P energy: -95.080
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -117.557
flat angles P-C4'-P energy: -86.572
tors. eta vs tors. theta energy: -145.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1612.917503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.917503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.917503 (E_RNA)
where:
Base-Base interactions energy: -1114.829
where: short stacking energy: -466.126
Base-Backbone interact. energy: -1.237
local terms energy: -496.851254
where:
bonds (distance) C4'-P energy: -100.450
bonds (distance) P-C4' energy: -86.116
flat angles C4'-P-C4' energy: -108.119
flat angles P-C4'-P energy: -73.515
tors. eta vs tors. theta energy: -128.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1528.743475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.743475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.743475 (E_RNA)
where:
Base-Base interactions energy: -1034.677
where: short stacking energy: -452.574
Base-Backbone interact. energy: -0.800
local terms energy: -493.266788
where:
bonds (distance) C4'-P energy: -92.132
bonds (distance) P-C4' energy: -98.149
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -73.486
tors. eta vs tors. theta energy: -129.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1348.824567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.824567 (E_RNA)
where:
Base-Base interactions energy: -888.021
where: short stacking energy: -390.748
Base-Backbone interact. energy: 0.386
local terms energy: -461.189708
where:
bonds (distance) C4'-P energy: -91.070
bonds (distance) P-C4' energy: -87.911
flat angles C4'-P-C4' energy: -108.279
flat angles P-C4'-P energy: -68.354
tors. eta vs tors. theta energy: -105.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1205.929268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.929268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.929268 (E_RNA)
where:
Base-Base interactions energy: -797.605
where: short stacking energy: -347.811
Base-Backbone interact. energy: -0.808
local terms energy: -407.516511
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -98.493
flat angles C4'-P-C4' energy: -90.369
flat angles P-C4'-P energy: -60.715
tors. eta vs tors. theta energy: -77.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1057.529173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.529173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.529173 (E_RNA)
where:
Base-Base interactions energy: -689.556
where: short stacking energy: -299.706
Base-Backbone interact. energy: 3.351
local terms energy: -371.324767
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -77.775
flat angles C4'-P-C4' energy: -82.830
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: -72.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -435.403011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.403011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.403011 (E_RNA)
where:
Base-Base interactions energy: -178.562
where: short stacking energy: -144.871
Base-Backbone interact. energy: 0.517
local terms energy: -257.357816
where:
bonds (distance) C4'-P energy: -90.621
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -81.910
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: 14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1888.643975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.643975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.643975 (E_RNA)
where:
Base-Base interactions energy: -1292.351
where: short stacking energy: -550.473
Base-Backbone interact. energy: -3.592
local terms energy: -592.701387
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -104.594
flat angles C4'-P-C4' energy: -131.799
flat angles P-C4'-P energy: -86.838
tors. eta vs tors. theta energy: -160.606
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1801.392999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.392999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.392999 (E_RNA)
where:
Base-Base interactions energy: -1200.954
where: short stacking energy: -560.480
Base-Backbone interact. energy: -2.291
local terms energy: -598.147663
where:
bonds (distance) C4'-P energy: -111.375
bonds (distance) P-C4' energy: -115.998
flat angles C4'-P-C4' energy: -122.586
flat angles P-C4'-P energy: -84.891
tors. eta vs tors. theta energy: -163.298
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1721.694212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.694212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.694212 (E_RNA)
where:
Base-Base interactions energy: -1161.686
where: short stacking energy: -527.962
Base-Backbone interact. energy: -1.622
local terms energy: -558.385764
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -107.515
flat angles C4'-P-C4' energy: -117.384
flat angles P-C4'-P energy: -90.944
tors. eta vs tors. theta energy: -147.039
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1666.389455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.389455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.389455 (E_RNA)
where:
Base-Base interactions energy: -1138.878
where: short stacking energy: -500.658
Base-Backbone interact. energy: 1.388
local terms energy: -528.898743
where:
bonds (distance) C4'-P energy: -97.221
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -115.239
flat angles P-C4'-P energy: -67.727
tors. eta vs tors. theta energy: -141.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1594.578988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.578988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.578988 (E_RNA)
where:
Base-Base interactions energy: -1103.719
where: short stacking energy: -476.365
Base-Backbone interact. energy: 0.124
local terms energy: -490.984395
where:
bonds (distance) C4'-P energy: -82.406
bonds (distance) P-C4' energy: -99.458
flat angles C4'-P-C4' energy: -110.293
flat angles P-C4'-P energy: -68.380
tors. eta vs tors. theta energy: -130.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1584.692714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.692714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.692714 (E_RNA)
where:
Base-Base interactions energy: -1084.486
where: short stacking energy: -466.169
Base-Backbone interact. energy: -2.730
local terms energy: -497.477323
where:
bonds (distance) C4'-P energy: -85.515
bonds (distance) P-C4' energy: -98.310
flat angles C4'-P-C4' energy: -105.731
flat angles P-C4'-P energy: -67.906
tors. eta vs tors. theta energy: -140.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1341.980544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.980544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.980544 (E_RNA)
where:
Base-Base interactions energy: -871.578
where: short stacking energy: -392.871
Base-Backbone interact. energy: -1.353
local terms energy: -469.049436
where:
bonds (distance) C4'-P energy: -81.120
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -116.467
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -104.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1221.239973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.239973 (E_RNA)
where:
Base-Base interactions energy: -798.461
where: short stacking energy: -363.142
Base-Backbone interact. energy: -1.704
local terms energy: -421.074627
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -93.349
flat angles C4'-P-C4' energy: -103.739
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -92.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1023.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.567942 (E_RNA)
where:
Base-Base interactions energy: -654.589
where: short stacking energy: -258.295
Base-Backbone interact. energy: 0.224
local terms energy: -369.203041
where:
bonds (distance) C4'-P energy: -83.513
bonds (distance) P-C4' energy: -109.602
flat angles C4'-P-C4' energy: -85.369
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -51.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -430.742518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.742518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.742518 (E_RNA)
where:
Base-Base interactions energy: -179.304
where: short stacking energy: -143.570
Base-Backbone interact. energy: -1.634
local terms energy: -249.804461
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -89.876
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: 24.524
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1897.635917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.635917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.635917 (E_RNA)
where:
Base-Base interactions energy: -1317.087
where: short stacking energy: -577.011
Base-Backbone interact. energy: -5.057
local terms energy: -575.492130
where:
bonds (distance) C4'-P energy: -107.027
bonds (distance) P-C4' energy: -103.422
flat angles C4'-P-C4' energy: -123.313
flat angles P-C4'-P energy: -74.180
tors. eta vs tors. theta energy: -167.550
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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1768.659043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.659043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.659043 (E_RNA)
where:
Base-Base interactions energy: -1223.701
where: short stacking energy: -554.225
Base-Backbone interact. energy: 1.665
local terms energy: -546.622591
where:
bonds (distance) C4'-P energy: -89.128
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -80.354
tors. eta vs tors. theta energy: -158.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1721.461104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.461104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.461104 (E_RNA)
where:
Base-Base interactions energy: -1147.241
where: short stacking energy: -505.771
Base-Backbone interact. energy: 1.095
local terms energy: -575.315538
where:
bonds (distance) C4'-P energy: -98.153
bonds (distance) P-C4' energy: -118.470
flat angles C4'-P-C4' energy: -129.126
flat angles P-C4'-P energy: -78.866
tors. eta vs tors. theta energy: -150.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1660.961911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.961911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.961911 (E_RNA)
where:
Base-Base interactions energy: -1116.135
where: short stacking energy: -486.573
Base-Backbone interact. energy: -0.675
local terms energy: -544.151989
where:
bonds (distance) C4'-P energy: -99.314
bonds (distance) P-C4' energy: -98.641
flat angles C4'-P-C4' energy: -120.714
flat angles P-C4'-P energy: -80.721
tors. eta vs tors. theta energy: -144.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1608.471124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.471124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.471124 (E_RNA)
where:
Base-Base interactions energy: -1096.774
where: short stacking energy: -474.704
Base-Backbone interact. energy: -2.579
local terms energy: -509.118042
where:
bonds (distance) C4'-P energy: -104.599
bonds (distance) P-C4' energy: -100.713
flat angles C4'-P-C4' energy: -98.583
flat angles P-C4'-P energy: -69.365
tors. eta vs tors. theta energy: -135.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1570.778216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.778216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.778216 (E_RNA)
where:
Base-Base interactions energy: -1082.535
where: short stacking energy: -448.814
Base-Backbone interact. energy: 3.745
local terms energy: -491.987877
where:
bonds (distance) C4'-P energy: -105.458
bonds (distance) P-C4' energy: -95.246
flat angles C4'-P-C4' energy: -107.709
flat angles P-C4'-P energy: -51.482
tors. eta vs tors. theta energy: -132.093
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: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1341.067964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.067964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.067964 (E_RNA)
where:
Base-Base interactions energy: -883.113
where: short stacking energy: -384.293
Base-Backbone interact. energy: -1.863
local terms energy: -456.092240
where:
bonds (distance) C4'-P energy: -100.815
bonds (distance) P-C4' energy: -86.016
flat angles C4'-P-C4' energy: -101.050
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -102.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1283.751238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.751238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.751238 (E_RNA)
where:
Base-Base interactions energy: -832.237
where: short stacking energy: -363.096
Base-Backbone interact. energy: 2.005
local terms energy: -453.519126
where:
bonds (distance) C4'-P energy: -99.827
bonds (distance) P-C4' energy: -103.858
flat angles C4'-P-C4' energy: -94.649
flat angles P-C4'-P energy: -61.110
tors. eta vs tors. theta energy: -94.074
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: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1099.985209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.985209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.985209 (E_RNA)
where:
Base-Base interactions energy: -727.088
where: short stacking energy: -297.189
Base-Backbone interact. energy: 2.337
local terms energy: -375.233306
where:
bonds (distance) C4'-P energy: -96.037
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -88.231
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -55.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -423.268814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.268814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.268814 (E_RNA)
where:
Base-Base interactions energy: -151.335
where: short stacking energy: -137.456
Base-Backbone interact. energy: 3.965
local terms energy: -275.899234
where:
bonds (distance) C4'-P energy: -84.416
bonds (distance) P-C4' energy: -95.212
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -49.999
tors. eta vs tors. theta energy: 17.069
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: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1866.623681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.623681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.623681 (E_RNA)
where:
Base-Base interactions energy: -1280.766
where: short stacking energy: -541.030
Base-Backbone interact. energy: -3.844
local terms energy: -582.013050
where:
bonds (distance) C4'-P energy: -108.402
bonds (distance) P-C4' energy: -101.836
flat angles C4'-P-C4' energy: -125.016
flat angles P-C4'-P energy: -86.600
tors. eta vs tors. theta energy: -160.159
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: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1786.452750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.452750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.452750 (E_RNA)
where:
Base-Base interactions energy: -1207.568
where: short stacking energy: -534.880
Base-Backbone interact. energy: 0.117
local terms energy: -579.001886
where:
bonds (distance) C4'-P energy: -108.228
bonds (distance) P-C4' energy: -114.376
flat angles C4'-P-C4' energy: -126.342
flat angles P-C4'-P energy: -75.702
tors. eta vs tors. theta energy: -154.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1741.656300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.656300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.656300 (E_RNA)
where:
Base-Base interactions energy: -1190.390
where: short stacking energy: -518.611
Base-Backbone interact. energy: -2.036
local terms energy: -549.230143
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -96.658
flat angles C4'-P-C4' energy: -114.084
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -147.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1709.692935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.692935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.692935 (E_RNA)
where:
Base-Base interactions energy: -1167.389
where: short stacking energy: -516.520
Base-Backbone interact. energy: -1.039
local terms energy: -541.265609
where:
bonds (distance) C4'-P energy: -104.236
bonds (distance) P-C4' energy: -102.512
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: -139.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1603.326879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.326879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.326879 (E_RNA)
where:
Base-Base interactions energy: -1088.044
where: short stacking energy: -476.860
Base-Backbone interact. energy: 2.913
local terms energy: -518.195807
where:
bonds (distance) C4'-P energy: -103.641
bonds (distance) P-C4' energy: -102.274
flat angles C4'-P-C4' energy: -108.589
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -123.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1619.990973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.990973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.990973 (E_RNA)
where:
Base-Base interactions energy: -1112.741
where: short stacking energy: -487.567
Base-Backbone interact. energy: -1.225
local terms energy: -506.025120
where:
bonds (distance) C4'-P energy: -85.068
bonds (distance) P-C4' energy: -90.403
flat angles C4'-P-C4' energy: -115.498
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -140.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1282.930964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.930964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.930964 (E_RNA)
where:
Base-Base interactions energy: -843.821
where: short stacking energy: -369.885
Base-Backbone interact. energy: -1.426
local terms energy: -437.683733
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -100.807
flat angles C4'-P-C4' energy: -98.393
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -95.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1281.826659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.826659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.826659 (E_RNA)
where:
Base-Base interactions energy: -858.110
where: short stacking energy: -351.424
Base-Backbone interact. energy: 0.692
local terms energy: -424.408610
where:
bonds (distance) C4'-P energy: -100.551
bonds (distance) P-C4' energy: -91.043
flat angles C4'-P-C4' energy: -105.244
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -85.579
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: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1103.707759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.707759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.707759 (E_RNA)
where:
Base-Base interactions energy: -688.207
where: short stacking energy: -302.110
Base-Backbone interact. energy: -0.924
local terms energy: -414.576252
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -96.116
flat angles C4'-P-C4' energy: -95.296
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -55.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -409.713943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.713943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.713943 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -125.232
Base-Backbone interact. energy: 3.298
local terms energy: -282.839508
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -78.380
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: 19.988
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: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1893.076196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.076196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.076196 (E_RNA)
where:
Base-Base interactions energy: -1318.752
where: short stacking energy: -542.758
Base-Backbone interact. energy: -5.281
local terms energy: -569.042635
where:
bonds (distance) C4'-P energy: -103.829
bonds (distance) P-C4' energy: -109.763
flat angles C4'-P-C4' energy: -114.459
flat angles P-C4'-P energy: -86.990
tors. eta vs tors. theta energy: -154.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1794.391564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.391564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.391564 (E_RNA)
where:
Base-Base interactions energy: -1231.896
where: short stacking energy: -530.724
Base-Backbone interact. energy: -0.416
local terms energy: -562.079256
where:
bonds (distance) C4'-P energy: -106.532
bonds (distance) P-C4' energy: -98.825
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -148.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1760.688655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.688655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.688655 (E_RNA)
where:
Base-Base interactions energy: -1220.534
where: short stacking energy: -542.957
Base-Backbone interact. energy: 0.329
local terms energy: -540.482834
where:
bonds (distance) C4'-P energy: -95.893
bonds (distance) P-C4' energy: -91.613
flat angles C4'-P-C4' energy: -106.481
flat angles P-C4'-P energy: -87.106
tors. eta vs tors. theta energy: -159.390
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1671.710644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.710644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.710644 (E_RNA)
where:
Base-Base interactions energy: -1160.193
where: short stacking energy: -501.451
Base-Backbone interact. energy: -0.479
local terms energy: -511.037730
where:
bonds (distance) C4'-P energy: -100.341
bonds (distance) P-C4' energy: -89.378
flat angles C4'-P-C4' energy: -111.122
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -133.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1592.080728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.080728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.080728 (E_RNA)
where:
Base-Base interactions energy: -1078.667
where: short stacking energy: -473.556
Base-Backbone interact. energy: 2.584
local terms energy: -515.997916
where:
bonds (distance) C4'-P energy: -85.745
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -123.628
flat angles P-C4'-P energy: -78.103
tors. eta vs tors. theta energy: -138.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1592.430204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.430204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.430204 (E_RNA)
where:
Base-Base interactions energy: -1058.832
where: short stacking energy: -452.340
Base-Backbone interact. energy: 0.416
local terms energy: -534.014651
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -99.031
flat angles C4'-P-C4' energy: -115.333
flat angles P-C4'-P energy: -79.672
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1294.673954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.673954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.673954 (E_RNA)
where:
Base-Base interactions energy: -839.110
where: short stacking energy: -391.201
Base-Backbone interact. energy: 1.679
local terms energy: -457.242731
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -87.405
flat angles C4'-P-C4' energy: -105.154
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -105.977
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: 339
Temperature: 1.250000
Total energy: -1329.010308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.010308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.010308 (E_RNA)
where:
Base-Base interactions energy: -900.876
where: short stacking energy: -381.251
Base-Backbone interact. energy: -2.506
local terms energy: -425.627398
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -92.005
flat angles C4'-P-C4' energy: -86.597
flat angles P-C4'-P energy: -53.971
tors. eta vs tors. theta energy: -102.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1068.711453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.711453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.711453 (E_RNA)
where:
Base-Base interactions energy: -695.792
where: short stacking energy: -312.161
Base-Backbone interact. energy: 5.090
local terms energy: -378.009367
where:
bonds (distance) C4'-P energy: -80.382
bonds (distance) P-C4' energy: -95.762
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -46.580
tors. eta vs tors. theta energy: -67.546
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: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -436.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.143900 (E_RNA)
where:
Base-Base interactions energy: -152.214
where: short stacking energy: -133.968
Base-Backbone interact. energy: 1.360
local terms energy: -285.288985
where:
bonds (distance) C4'-P energy: -74.223
bonds (distance) P-C4' energy: -97.368
flat angles C4'-P-C4' energy: -83.755
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: 16.623
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: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1868.530862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.530862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.530862 (E_RNA)
where:
Base-Base interactions energy: -1277.208
where: short stacking energy: -550.318
Base-Backbone interact. energy: -3.364
local terms energy: -587.958865
where:
bonds (distance) C4'-P energy: -106.648
bonds (distance) P-C4' energy: -108.899
flat angles C4'-P-C4' energy: -126.059
flat angles P-C4'-P energy: -83.663
tors. eta vs tors. theta energy: -162.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1815.850612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.850612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.850612 (E_RNA)
where:
Base-Base interactions energy: -1232.620
where: short stacking energy: -550.548
Base-Backbone interact. energy: 0.265
local terms energy: -583.496245
where:
bonds (distance) C4'-P energy: -112.085
bonds (distance) P-C4' energy: -99.990
flat angles C4'-P-C4' energy: -128.398
flat angles P-C4'-P energy: -90.498
tors. eta vs tors. theta energy: -152.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1752.866495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.866495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.866495 (E_RNA)
where:
Base-Base interactions energy: -1190.444
where: short stacking energy: -526.501
Base-Backbone interact. energy: -1.073
local terms energy: -561.349265
where:
bonds (distance) C4'-P energy: -102.296
bonds (distance) P-C4' energy: -109.800
flat angles C4'-P-C4' energy: -111.788
flat angles P-C4'-P energy: -84.580
tors. eta vs tors. theta energy: -152.885
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1682.942697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.942697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.942697 (E_RNA)
where:
Base-Base interactions energy: -1155.622
where: short stacking energy: -529.730
Base-Backbone interact. energy: 5.294
local terms energy: -532.614411
where:
bonds (distance) C4'-P energy: -105.877
bonds (distance) P-C4' energy: -98.098
flat angles C4'-P-C4' energy: -115.214
flat angles P-C4'-P energy: -71.595
tors. eta vs tors. theta energy: -141.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1586.546102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.546102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.546102 (E_RNA)
where:
Base-Base interactions energy: -1082.964
where: short stacking energy: -477.569
Base-Backbone interact. energy: -0.121
local terms energy: -503.460534
where:
bonds (distance) C4'-P energy: -89.544
bonds (distance) P-C4' energy: -94.219
flat angles C4'-P-C4' energy: -106.552
flat angles P-C4'-P energy: -82.794
tors. eta vs tors. theta energy: -130.352
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: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1549.618856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.618856 (E_RNA)
where:
Base-Base interactions energy: -1066.072
where: short stacking energy: -448.214
Base-Backbone interact. energy: -1.011
local terms energy: -482.536470
where:
bonds (distance) C4'-P energy: -89.618
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -105.938
flat angles P-C4'-P energy: -67.945
tors. eta vs tors. theta energy: -132.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1377.815434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.815434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.815434 (E_RNA)
where:
Base-Base interactions energy: -919.992
where: short stacking energy: -395.612
Base-Backbone interact. energy: -1.943
local terms energy: -455.880217
where:
bonds (distance) C4'-P energy: -91.476
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -107.274
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -96.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1241.040795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.040795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.040795 (E_RNA)
where:
Base-Base interactions energy: -790.446
where: short stacking energy: -348.366
Base-Backbone interact. energy: -2.258
local terms energy: -448.335902
where:
bonds (distance) C4'-P energy: -98.252
bonds (distance) P-C4' energy: -99.447
flat angles C4'-P-C4' energy: -102.574
flat angles P-C4'-P energy: -58.194
tors. eta vs tors. theta energy: -89.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1040.671315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.671315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.671315 (E_RNA)
where:
Base-Base interactions energy: -657.274
where: short stacking energy: -295.798
Base-Backbone interact. energy: -0.479
local terms energy: -382.917903
where:
bonds (distance) C4'-P energy: -98.364
bonds (distance) P-C4' energy: -84.314
flat angles C4'-P-C4' energy: -81.645
flat angles P-C4'-P energy: -62.840
tors. eta vs tors. theta energy: -55.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -430.740734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.740734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.740734 (E_RNA)
where:
Base-Base interactions energy: -169.324
where: short stacking energy: -136.590
Base-Backbone interact. energy: 4.390
local terms energy: -265.806311
where:
bonds (distance) C4'-P energy: -83.227
bonds (distance) P-C4' energy: -104.407
flat angles C4'-P-C4' energy: -54.870
flat angles P-C4'-P energy: -45.887
tors. eta vs tors. theta energy: 22.585
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: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1868.989726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.989726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.989726 (E_RNA)
where:
Base-Base interactions energy: -1287.454
where: short stacking energy: -560.291
Base-Backbone interact. energy: -4.962
local terms energy: -576.574083
where:
bonds (distance) C4'-P energy: -99.842
bonds (distance) P-C4' energy: -105.422
flat angles C4'-P-C4' energy: -118.286
flat angles P-C4'-P energy: -83.970
tors. eta vs tors. theta energy: -169.054
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: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1825.796906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.796906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.796906 (E_RNA)
where:
Base-Base interactions energy: -1241.408
where: short stacking energy: -560.163
Base-Backbone interact. energy: 0.008
local terms energy: -584.397554
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -116.343
flat angles C4'-P-C4' energy: -124.845
flat angles P-C4'-P energy: -85.546
tors. eta vs tors. theta energy: -165.912
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1722.931108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.931108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.931108 (E_RNA)
where:
Base-Base interactions energy: -1155.088
where: short stacking energy: -501.045
Base-Backbone interact. energy: 2.184
local terms energy: -570.027705
where:
bonds (distance) C4'-P energy: -109.775
bonds (distance) P-C4' energy: -111.812
flat angles C4'-P-C4' energy: -118.502
flat angles P-C4'-P energy: -83.144
tors. eta vs tors. theta energy: -146.794
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: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1702.649139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.649139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.649139 (E_RNA)
where:
Base-Base interactions energy: -1160.702
where: short stacking energy: -506.731
Base-Backbone interact. energy: -1.172
local terms energy: -540.775920
where:
bonds (distance) C4'-P energy: -93.377
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -110.090
flat angles P-C4'-P energy: -79.482
tors. eta vs tors. theta energy: -150.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1585.203844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.203844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.203844 (E_RNA)
where:
Base-Base interactions energy: -1051.869
where: short stacking energy: -455.135
Base-Backbone interact. energy: -1.691
local terms energy: -531.644506
where:
bonds (distance) C4'-P energy: -97.528
bonds (distance) P-C4' energy: -99.970
flat angles C4'-P-C4' energy: -117.789
flat angles P-C4'-P energy: -79.902
tors. eta vs tors. theta energy: -136.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1568.404095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.404095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.404095 (E_RNA)
where:
Base-Base interactions energy: -1074.589
where: short stacking energy: -468.423
Base-Backbone interact. energy: -0.035
local terms energy: -493.779948
where:
bonds (distance) C4'-P energy: -97.011
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -122.355
flat angles P-C4'-P energy: -54.402
tors. eta vs tors. theta energy: -133.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1364.825168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.825168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.825168 (E_RNA)
where:
Base-Base interactions energy: -918.528
where: short stacking energy: -426.110
Base-Backbone interact. energy: 1.039
local terms energy: -447.336886
where:
bonds (distance) C4'-P energy: -70.138
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -116.275
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -101.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1226.344422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.344422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.344422 (E_RNA)
where:
Base-Base interactions energy: -818.112
where: short stacking energy: -357.407
Base-Backbone interact. energy: -0.064
local terms energy: -408.168236
where:
bonds (distance) C4'-P energy: -89.743
bonds (distance) P-C4' energy: -96.166
flat angles C4'-P-C4' energy: -91.152
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -76.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1008.286361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.286361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.286361 (E_RNA)
where:
Base-Base interactions energy: -668.604
where: short stacking energy: -276.594
Base-Backbone interact. energy: -0.157
local terms energy: -339.525143
where:
bonds (distance) C4'-P energy: -70.920
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -87.539
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -442.183714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.183714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.183714 (E_RNA)
where:
Base-Base interactions energy: -184.424
where: short stacking energy: -114.498
Base-Backbone interact. energy: -1.569
local terms energy: -256.190561
where:
bonds (distance) C4'-P energy: -84.337
bonds (distance) P-C4' energy: -71.691
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: 14.690
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: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1898.638567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.638567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.638567 (E_RNA)
where:
Base-Base interactions energy: -1301.339
where: short stacking energy: -531.063
Base-Backbone interact. energy: -3.436
local terms energy: -593.863487
where:
bonds (distance) C4'-P energy: -119.555
bonds (distance) P-C4' energy: -99.151
flat angles C4'-P-C4' energy: -123.653
flat angles P-C4'-P energy: -86.461
tors. eta vs tors. theta energy: -165.043
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: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1789.993760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.993760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.993760 (E_RNA)
where:
Base-Base interactions energy: -1229.927
where: short stacking energy: -554.324
Base-Backbone interact. energy: -0.888
local terms energy: -559.178745
where:
bonds (distance) C4'-P energy: -88.111
bonds (distance) P-C4' energy: -104.441
flat angles C4'-P-C4' energy: -123.362
flat angles P-C4'-P energy: -78.575
tors. eta vs tors. theta energy: -164.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1748.400455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.400455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.400455 (E_RNA)
where:
Base-Base interactions energy: -1170.887
where: short stacking energy: -508.780
Base-Backbone interact. energy: -0.086
local terms energy: -577.426849
where:
bonds (distance) C4'-P energy: -109.932
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -123.459
flat angles P-C4'-P energy: -92.827
tors. eta vs tors. theta energy: -152.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1694.279696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.279696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.279696 (E_RNA)
where:
Base-Base interactions energy: -1161.729
where: short stacking energy: -504.470
Base-Backbone interact. energy: -0.040
local terms energy: -532.510126
where:
bonds (distance) C4'-P energy: -93.874
bonds (distance) P-C4' energy: -111.099
flat angles C4'-P-C4' energy: -103.253
flat angles P-C4'-P energy: -74.350
tors. eta vs tors. theta energy: -149.935
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: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1630.303621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.303621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.303621 (E_RNA)
where:
Base-Base interactions energy: -1104.552
where: short stacking energy: -505.751
Base-Backbone interact. energy: 10.813
local terms energy: -536.564383
where:
bonds (distance) C4'-P energy: -91.778
bonds (distance) P-C4' energy: -99.213
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -83.264
tors. eta vs tors. theta energy: -160.045
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: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1584.363549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.363549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.363549 (E_RNA)
where:
Base-Base interactions energy: -1094.703
where: short stacking energy: -487.432
Base-Backbone interact. energy: -1.231
local terms energy: -488.429939
where:
bonds (distance) C4'-P energy: -87.961
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -110.696
flat angles P-C4'-P energy: -55.551
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: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1328.737548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.737548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.737548 (E_RNA)
where:
Base-Base interactions energy: -913.133
where: short stacking energy: -420.020
Base-Backbone interact. energy: 4.188
local terms energy: -419.792824
where:
bonds (distance) C4'-P energy: -88.913
bonds (distance) P-C4' energy: -67.165
flat angles C4'-P-C4' energy: -106.964
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -102.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1210.657202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.657202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.657202 (E_RNA)
where:
Base-Base interactions energy: -795.898
where: short stacking energy: -358.159
Base-Backbone interact. energy: -0.623
local terms energy: -414.136554
where:
bonds (distance) C4'-P energy: -80.852
bonds (distance) P-C4' energy: -101.746
flat angles C4'-P-C4' energy: -92.189
flat angles P-C4'-P energy: -55.846
tors. eta vs tors. theta energy: -83.504
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: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1015.218781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.218781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.218781 (E_RNA)
where:
Base-Base interactions energy: -638.562
where: short stacking energy: -291.750
Base-Backbone interact. energy: 0.148
local terms energy: -376.805369
where:
bonds (distance) C4'-P energy: -85.014
bonds (distance) P-C4' energy: -90.829
flat angles C4'-P-C4' energy: -96.406
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -436.192706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.192706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.192706 (E_RNA)
where:
Base-Base interactions energy: -141.353
where: short stacking energy: -114.918
Base-Backbone interact. energy: -0.438
local terms energy: -294.401416
where:
bonds (distance) C4'-P energy: -86.152
bonds (distance) P-C4' energy: -89.847
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -48.515
tors. eta vs tors. theta energy: 23.275
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1877.653097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.653097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.653097 (E_RNA)
where:
Base-Base interactions energy: -1307.832
where: short stacking energy: -539.213
Base-Backbone interact. energy: -4.184
local terms energy: -565.637207
where:
bonds (distance) C4'-P energy: -106.729
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -118.871
flat angles P-C4'-P energy: -92.140
tors. eta vs tors. theta energy: -150.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1803.085110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.085110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.085110 (E_RNA)
where:
Base-Base interactions energy: -1223.729
where: short stacking energy: -543.699
Base-Backbone interact. energy: -1.903
local terms energy: -577.452964
where:
bonds (distance) C4'-P energy: -110.401
bonds (distance) P-C4' energy: -112.769
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -80.756
tors. eta vs tors. theta energy: -158.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1738.935562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.935562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.935562 (E_RNA)
where:
Base-Base interactions energy: -1173.321
where: short stacking energy: -523.205
Base-Backbone interact. energy: -1.965
local terms energy: -563.649683
where:
bonds (distance) C4'-P energy: -102.245
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -114.742
flat angles P-C4'-P energy: -77.356
tors. eta vs tors. theta energy: -164.601
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: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1726.079129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.079129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.079129 (E_RNA)
where:
Base-Base interactions energy: -1196.709
where: short stacking energy: -528.934
Base-Backbone interact. energy: -1.160
local terms energy: -528.210883
where:
bonds (distance) C4'-P energy: -98.678
bonds (distance) P-C4' energy: -92.087
flat angles C4'-P-C4' energy: -111.697
flat angles P-C4'-P energy: -67.257
tors. eta vs tors. theta energy: -158.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1604.807932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.807932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.807932 (E_RNA)
where:
Base-Base interactions energy: -1099.776
where: short stacking energy: -480.249
Base-Backbone interact. energy: 0.427
local terms energy: -505.458614
where:
bonds (distance) C4'-P energy: -87.695
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -104.271
flat angles P-C4'-P energy: -79.707
tors. eta vs tors. theta energy: -138.507
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: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1591.760103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.760103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.760103 (E_RNA)
where:
Base-Base interactions energy: -1075.010
where: short stacking energy: -457.213
Base-Backbone interact. energy: -1.206
local terms energy: -515.544007
where:
bonds (distance) C4'-P energy: -90.421
bonds (distance) P-C4' energy: -94.937
flat angles C4'-P-C4' energy: -108.021
flat angles P-C4'-P energy: -78.693
tors. eta vs tors. theta energy: -143.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1300.169943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.169943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.169943 (E_RNA)
where:
Base-Base interactions energy: -839.497
where: short stacking energy: -368.166
Base-Backbone interact. energy: -1.447
local terms energy: -459.226111
where:
bonds (distance) C4'-P energy: -104.241
bonds (distance) P-C4' energy: -98.595
flat angles C4'-P-C4' energy: -102.591
flat angles P-C4'-P energy: -68.514
tors. eta vs tors. theta energy: -85.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1102.061779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.061779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.061779 (E_RNA)
where:
Base-Base interactions energy: -707.149
where: short stacking energy: -301.667
Base-Backbone interact. energy: 4.895
local terms energy: -399.808141
where:
bonds (distance) C4'-P energy: -83.512
bonds (distance) P-C4' energy: -103.657
flat angles C4'-P-C4' energy: -87.033
flat angles P-C4'-P energy: -66.328
tors. eta vs tors. theta energy: -59.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -976.695707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.695707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.695707 (E_RNA)
where:
Base-Base interactions energy: -600.801
where: short stacking energy: -274.683
Base-Backbone interact. energy: -0.178
local terms energy: -375.717346
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -100.476
flat angles C4'-P-C4' energy: -83.668
flat angles P-C4'-P energy: -58.927
tors. eta vs tors. theta energy: -49.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -423.697384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.697384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.697384 (E_RNA)
where:
Base-Base interactions energy: -123.249
where: short stacking energy: -112.867
Base-Backbone interact. energy: 1.148
local terms energy: -301.597019
where:
bonds (distance) C4'-P energy: -81.641
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -92.631
flat angles P-C4'-P energy: -56.168
tors. eta vs tors. theta energy: 23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1857.413549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.413549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.413549 (E_RNA)
where:
Base-Base interactions energy: -1285.984
where: short stacking energy: -558.123
Base-Backbone interact. energy: -2.109
local terms energy: -569.320914
where:
bonds (distance) C4'-P energy: -103.907
bonds (distance) P-C4' energy: -95.809
flat angles C4'-P-C4' energy: -118.926
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -165.763
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: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1817.301450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.301450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.301450 (E_RNA)
where:
Base-Base interactions energy: -1230.779
where: short stacking energy: -552.039
Base-Backbone interact. energy: 0.025
local terms energy: -586.547348
where:
bonds (distance) C4'-P energy: -101.779
bonds (distance) P-C4' energy: -106.499
flat angles C4'-P-C4' energy: -126.940
flat angles P-C4'-P energy: -91.188
tors. eta vs tors. theta energy: -160.141
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: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1761.969161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.969161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.969161 (E_RNA)
where:
Base-Base interactions energy: -1199.376
where: short stacking energy: -542.333
Base-Backbone interact. energy: -0.451
local terms energy: -562.142600
where:
bonds (distance) C4'-P energy: -85.520
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -106.570
flat angles P-C4'-P energy: -90.922
tors. eta vs tors. theta energy: -166.409
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1743.395864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.395864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.395864 (E_RNA)
where:
Base-Base interactions energy: -1187.882
where: short stacking energy: -536.918
Base-Backbone interact. energy: -2.012
local terms energy: -553.501445
where:
bonds (distance) C4'-P energy: -95.853
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -117.362
flat angles P-C4'-P energy: -72.186
tors. eta vs tors. theta energy: -165.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1586.216706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.216706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.216706 (E_RNA)
where:
Base-Base interactions energy: -1086.637
where: short stacking energy: -466.628
Base-Backbone interact. energy: -0.034
local terms energy: -499.546122
where:
bonds (distance) C4'-P energy: -82.641
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -118.658
flat angles P-C4'-P energy: -62.286
tors. eta vs tors. theta energy: -135.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1633.732458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.732458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.732458 (E_RNA)
where:
Base-Base interactions energy: -1127.855
where: short stacking energy: -468.343
Base-Backbone interact. energy: -2.154
local terms energy: -503.723692
where:
bonds (distance) C4'-P energy: -82.149
bonds (distance) P-C4' energy: -109.100
flat angles C4'-P-C4' energy: -97.579
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -135.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1295.628187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.628187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.628187 (E_RNA)
where:
Base-Base interactions energy: -857.030
where: short stacking energy: -378.609
Base-Backbone interact. energy: 4.445
local terms energy: -443.043253
where:
bonds (distance) C4'-P energy: -74.750
bonds (distance) P-C4' energy: -92.897
flat angles C4'-P-C4' energy: -102.345
flat angles P-C4'-P energy: -75.881
tors. eta vs tors. theta energy: -97.171
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: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1143.323065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.323065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.323065 (E_RNA)
where:
Base-Base interactions energy: -755.334
where: short stacking energy: -341.072
Base-Backbone interact. energy: -0.335
local terms energy: -387.653162
where:
bonds (distance) C4'-P energy: -70.868
bonds (distance) P-C4' energy: -93.667
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -49.811
tors. eta vs tors. theta energy: -78.361
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: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -979.044210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.044210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.044210 (E_RNA)
where:
Base-Base interactions energy: -646.013
where: short stacking energy: -287.368
Base-Backbone interact. energy: -2.899
local terms energy: -330.131638
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -74.688
flat angles C4'-P-C4' energy: -80.680
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -465.523658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.523658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.523658 (E_RNA)
where:
Base-Base interactions energy: -190.164
where: short stacking energy: -150.106
Base-Backbone interact. energy: -0.190
local terms energy: -275.169197
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -91.321
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: 9.984
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: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1863.243409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.243409 (E_RNA)
where:
Base-Base interactions energy: -1274.802
where: short stacking energy: -543.956
Base-Backbone interact. energy: -2.397
local terms energy: -586.043998
where:
bonds (distance) C4'-P energy: -110.355
bonds (distance) P-C4' energy: -110.122
flat angles C4'-P-C4' energy: -118.616
flat angles P-C4'-P energy: -79.906
tors. eta vs tors. theta energy: -167.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1766.815387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.815387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.815387 (E_RNA)
where:
Base-Base interactions energy: -1225.784
where: short stacking energy: -546.753
Base-Backbone interact. energy: -2.412
local terms energy: -538.619109
where:
bonds (distance) C4'-P energy: -87.872
bonds (distance) P-C4' energy: -98.129
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -165.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1744.845478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.845478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.845478 (E_RNA)
where:
Base-Base interactions energy: -1191.709
where: short stacking energy: -532.320
Base-Backbone interact. energy: -0.978
local terms energy: -552.158835
where:
bonds (distance) C4'-P energy: -104.580
bonds (distance) P-C4' energy: -98.369
flat angles C4'-P-C4' energy: -121.017
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -157.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1699.789707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.789707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.789707 (E_RNA)
where:
Base-Base interactions energy: -1151.256
where: short stacking energy: -512.774
Base-Backbone interact. energy: -4.227
local terms energy: -544.306401
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -103.203
flat angles C4'-P-C4' energy: -113.215
flat angles P-C4'-P energy: -68.723
tors. eta vs tors. theta energy: -155.014
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: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1608.088404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.088404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.088404 (E_RNA)
where:
Base-Base interactions energy: -1113.533
where: short stacking energy: -474.117
Base-Backbone interact. energy: -0.332
local terms energy: -494.223533
where:
bonds (distance) C4'-P energy: -98.034
bonds (distance) P-C4' energy: -113.530
flat angles C4'-P-C4' energy: -91.910
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -135.045
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: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1599.325277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.325277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.325277 (E_RNA)
where:
Base-Base interactions energy: -1098.563
where: short stacking energy: -483.238
Base-Backbone interact. energy: 1.812
local terms energy: -502.574167
where:
bonds (distance) C4'-P energy: -92.216
bonds (distance) P-C4' energy: -103.457
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -64.363
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: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1317.795100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.795100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.795100 (E_RNA)
where:
Base-Base interactions energy: -884.201
where: short stacking energy: -374.646
Base-Backbone interact. energy: 5.982
local terms energy: -439.576674
where:
bonds (distance) C4'-P energy: -83.673
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -94.920
flat angles P-C4'-P energy: -72.312
tors. eta vs tors. theta energy: -98.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1166.959946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.959946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.959946 (E_RNA)
where:
Base-Base interactions energy: -762.792
where: short stacking energy: -342.519
Base-Backbone interact. energy: -1.410
local terms energy: -402.757701
where:
bonds (distance) C4'-P energy: -82.701
bonds (distance) P-C4' energy: -85.477
flat angles C4'-P-C4' energy: -103.632
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -991.176269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.176269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.176269 (E_RNA)
where:
Base-Base interactions energy: -597.240
where: short stacking energy: -273.667
Base-Backbone interact. energy: 2.218
local terms energy: -396.154593
where:
bonds (distance) C4'-P energy: -90.899
bonds (distance) P-C4' energy: -90.675
flat angles C4'-P-C4' energy: -101.036
flat angles P-C4'-P energy: -52.229
tors. eta vs tors. theta energy: -61.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -448.065661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.065661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.065661 (E_RNA)
where:
Base-Base interactions energy: -154.662
where: short stacking energy: -112.489
Base-Backbone interact. energy: -3.189
local terms energy: -290.215581
where:
bonds (distance) C4'-P energy: -85.611
bonds (distance) P-C4' energy: -97.660
flat angles C4'-P-C4' energy: -73.052
flat angles P-C4'-P energy: -60.540
tors. eta vs tors. theta energy: 26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1873.575414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.575414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.575414 (E_RNA)
where:
Base-Base interactions energy: -1278.842
where: short stacking energy: -566.274
Base-Backbone interact. energy: -4.898
local terms energy: -589.835822
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -96.041
flat angles C4'-P-C4' energy: -130.940
flat angles P-C4'-P energy: -93.340
tors. eta vs tors. theta energy: -161.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1761.749439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.749439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.749439 (E_RNA)
where:
Base-Base interactions energy: -1186.896
where: short stacking energy: -535.715
Base-Backbone interact. energy: -1.331
local terms energy: -573.522279
where:
bonds (distance) C4'-P energy: -95.657
bonds (distance) P-C4' energy: -108.126
flat angles C4'-P-C4' energy: -125.870
flat angles P-C4'-P energy: -86.836
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1765.790672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.790672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.790672 (E_RNA)
where:
Base-Base interactions energy: -1204.677
where: short stacking energy: -555.207
Base-Backbone interact. energy: -1.989
local terms energy: -559.123966
where:
bonds (distance) C4'-P energy: -92.983
bonds (distance) P-C4' energy: -109.600
flat angles C4'-P-C4' energy: -113.157
flat angles P-C4'-P energy: -78.453
tors. eta vs tors. theta energy: -164.930
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: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1723.045965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.045965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.045965 (E_RNA)
where:
Base-Base interactions energy: -1174.123
where: short stacking energy: -524.310
Base-Backbone interact. energy: -1.624
local terms energy: -547.298750
where:
bonds (distance) C4'-P energy: -88.097
bonds (distance) P-C4' energy: -108.756
flat angles C4'-P-C4' energy: -117.018
flat angles P-C4'-P energy: -80.438
tors. eta vs tors. theta energy: -152.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1602.834240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.834240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.834240 (E_RNA)
where:
Base-Base interactions energy: -1065.026
where: short stacking energy: -470.050
Base-Backbone interact. energy: -2.389
local terms energy: -535.418759
where:
bonds (distance) C4'-P energy: -97.250
bonds (distance) P-C4' energy: -103.783
flat angles C4'-P-C4' energy: -110.398
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -145.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1521.198814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.198814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.198814 (E_RNA)
where:
Base-Base interactions energy: -1036.853
where: short stacking energy: -458.950
Base-Backbone interact. energy: 0.237
local terms energy: -484.582556
where:
bonds (distance) C4'-P energy: -83.746
bonds (distance) P-C4' energy: -93.130
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -135.061
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: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1379.913611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.913611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.913611 (E_RNA)
where:
Base-Base interactions energy: -931.984
where: short stacking energy: -416.436
Base-Backbone interact. energy: -0.529
local terms energy: -447.400624
where:
bonds (distance) C4'-P energy: -92.108
bonds (distance) P-C4' energy: -84.867
flat angles C4'-P-C4' energy: -94.512
flat angles P-C4'-P energy: -71.621
tors. eta vs tors. theta energy: -104.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1145.118677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.118677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.118677 (E_RNA)
where:
Base-Base interactions energy: -733.286
where: short stacking energy: -337.994
Base-Backbone interact. energy: -2.021
local terms energy: -409.811796
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -76.686
flat angles C4'-P-C4' energy: -98.913
flat angles P-C4'-P energy: -63.055
tors. eta vs tors. theta energy: -73.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -957.636314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.636314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.636314 (E_RNA)
where:
Base-Base interactions energy: -591.489
where: short stacking energy: -266.201
Base-Backbone interact. energy: -0.847
local terms energy: -365.300730
where:
bonds (distance) C4'-P energy: -86.209
bonds (distance) P-C4' energy: -92.432
flat angles C4'-P-C4' energy: -90.924
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -38.012
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -437.430319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.430319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.430319 (E_RNA)
where:
Base-Base interactions energy: -142.764
where: short stacking energy: -134.782
Base-Backbone interact. energy: 1.785
local terms energy: -296.451611
where:
bonds (distance) C4'-P energy: -82.532
bonds (distance) P-C4' energy: -101.466
flat angles C4'-P-C4' energy: -75.787
flat angles P-C4'-P energy: -52.443
tors. eta vs tors. theta energy: 15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1889.178904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.178904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.178904 (E_RNA)
where:
Base-Base interactions energy: -1303.723
where: short stacking energy: -567.172
Base-Backbone interact. energy: -2.237
local terms energy: -583.219321
where:
bonds (distance) C4'-P energy: -98.032
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -126.268
flat angles P-C4'-P energy: -93.662
tors. eta vs tors. theta energy: -164.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1753.603024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.603024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.603024 (E_RNA)
where:
Base-Base interactions energy: -1187.782
where: short stacking energy: -536.670
Base-Backbone interact. energy: -0.180
local terms energy: -565.641503
where:
bonds (distance) C4'-P energy: -108.670
bonds (distance) P-C4' energy: -103.035
flat angles C4'-P-C4' energy: -117.535
flat angles P-C4'-P energy: -79.297
tors. eta vs tors. theta energy: -157.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1740.520511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.520511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.520511 (E_RNA)
where:
Base-Base interactions energy: -1191.248
where: short stacking energy: -531.748
Base-Backbone interact. energy: -0.908
local terms energy: -548.364487
where:
bonds (distance) C4'-P energy: -102.851
bonds (distance) P-C4' energy: -85.590
flat angles C4'-P-C4' energy: -119.225
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -153.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1710.395743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.395743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.395743 (E_RNA)
where:
Base-Base interactions energy: -1169.118
where: short stacking energy: -519.701
Base-Backbone interact. energy: 1.334
local terms energy: -542.612217
where:
bonds (distance) C4'-P energy: -106.819
bonds (distance) P-C4' energy: -91.350
flat angles C4'-P-C4' energy: -112.471
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -158.216
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: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1649.454383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.454383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.454383 (E_RNA)
where:
Base-Base interactions energy: -1109.828
where: short stacking energy: -507.778
Base-Backbone interact. energy: 0.362
local terms energy: -539.989159
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -109.474
flat angles C4'-P-C4' energy: -108.354
flat angles P-C4'-P energy: -66.966
tors. eta vs tors. theta energy: -161.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1527.925246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.925246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.925246 (E_RNA)
where:
Base-Base interactions energy: -1013.999
where: short stacking energy: -438.963
Base-Backbone interact. energy: -1.275
local terms energy: -512.651004
where:
bonds (distance) C4'-P energy: -91.547
bonds (distance) P-C4' energy: -93.502
flat angles C4'-P-C4' energy: -109.822
flat angles P-C4'-P energy: -81.404
tors. eta vs tors. theta energy: -136.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1393.255769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.255769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.255769 (E_RNA)
where:
Base-Base interactions energy: -906.639
where: short stacking energy: -393.666
Base-Backbone interact. energy: -1.724
local terms energy: -484.892248
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -102.616
flat angles C4'-P-C4' energy: -110.165
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -106.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1164.077147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.077147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.077147 (E_RNA)
where:
Base-Base interactions energy: -749.735
where: short stacking energy: -339.591
Base-Backbone interact. energy: 3.029
local terms energy: -417.371369
where:
bonds (distance) C4'-P energy: -102.724
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -80.399
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -79.224
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: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -997.093017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.093017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.093017 (E_RNA)
where:
Base-Base interactions energy: -649.446
where: short stacking energy: -277.748
Base-Backbone interact. energy: -3.329
local terms energy: -344.317374
where:
bonds (distance) C4'-P energy: -83.632
bonds (distance) P-C4' energy: -85.616
flat angles C4'-P-C4' energy: -86.016
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -43.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -439.097824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.097824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.097824 (E_RNA)
where:
Base-Base interactions energy: -207.001
where: short stacking energy: -147.749
Base-Backbone interact. energy: -1.057
local terms energy: -231.040397
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -81.847
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -32.546
tors. eta vs tors. theta energy: 10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1883.038851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.038851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.038851 (E_RNA)
where:
Base-Base interactions energy: -1286.308
where: short stacking energy: -556.088
Base-Backbone interact. energy: -3.561
local terms energy: -593.169535
where:
bonds (distance) C4'-P energy: -104.090
bonds (distance) P-C4' energy: -118.687
flat angles C4'-P-C4' energy: -119.612
flat angles P-C4'-P energy: -86.854
tors. eta vs tors. theta energy: -163.927
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: 348
Temperature: 0.950000
Total energy: -1801.325921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.325921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.325921 (E_RNA)
where:
Base-Base interactions energy: -1213.913
where: short stacking energy: -553.542
Base-Backbone interact. energy: -0.542
local terms energy: -586.871314
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -110.099
flat angles C4'-P-C4' energy: -124.923
flat angles P-C4'-P energy: -84.260
tors. eta vs tors. theta energy: -159.874
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: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1762.094135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.094135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.094135 (E_RNA)
where:
Base-Base interactions energy: -1204.969
where: short stacking energy: -550.834
Base-Backbone interact. energy: 4.518
local terms energy: -561.642741
where:
bonds (distance) C4'-P energy: -85.826
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -107.168
flat angles P-C4'-P energy: -93.664
tors. eta vs tors. theta energy: -157.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1711.620635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.620635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.620635 (E_RNA)
where:
Base-Base interactions energy: -1156.612
where: short stacking energy: -518.875
Base-Backbone interact. energy: -2.335
local terms energy: -552.673713
where:
bonds (distance) C4'-P energy: -98.760
bonds (distance) P-C4' energy: -117.824
flat angles C4'-P-C4' energy: -111.505
flat angles P-C4'-P energy: -78.048
tors. eta vs tors. theta energy: -146.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1627.964836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.964836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.964836 (E_RNA)
where:
Base-Base interactions energy: -1118.064
where: short stacking energy: -493.444
Base-Backbone interact. energy: -3.492
local terms energy: -506.408293
where:
bonds (distance) C4'-P energy: -99.152
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -112.041
flat angles P-C4'-P energy: -74.093
tors. eta vs tors. theta energy: -139.582
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: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1500.669843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.669843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.669843 (E_RNA)
where:
Base-Base interactions energy: -998.214
where: short stacking energy: -429.672
Base-Backbone interact. energy: 1.526
local terms energy: -503.981148
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -100.280
flat angles C4'-P-C4' energy: -103.264
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -112.451
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: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1394.283154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.283154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.283154 (E_RNA)
where:
Base-Base interactions energy: -956.199
where: short stacking energy: -402.640
Base-Backbone interact. energy: -2.107
local terms energy: -435.976607
where:
bonds (distance) C4'-P energy: -86.351
bonds (distance) P-C4' energy: -91.668
flat angles C4'-P-C4' energy: -89.951
flat angles P-C4'-P energy: -67.137
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: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1106.714321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.714321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.714321 (E_RNA)
where:
Base-Base interactions energy: -724.858
where: short stacking energy: -333.904
Base-Backbone interact. energy: 2.207
local terms energy: -384.063817
where:
bonds (distance) C4'-P energy: -73.559
bonds (distance) P-C4' energy: -80.718
flat angles C4'-P-C4' energy: -98.971
flat angles P-C4'-P energy: -59.493
tors. eta vs tors. theta energy: -71.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1082.551393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.551393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.551393 (E_RNA)
where:
Base-Base interactions energy: -710.851
where: short stacking energy: -285.392
Base-Backbone interact. energy: -0.097
local terms energy: -371.603228
where:
bonds (distance) C4'-P energy: -80.579
bonds (distance) P-C4' energy: -91.165
flat angles C4'-P-C4' energy: -77.768
flat angles P-C4'-P energy: -58.910
tors. eta vs tors. theta energy: -63.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -426.828062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.828062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.828062 (E_RNA)
where:
Base-Base interactions energy: -174.997
where: short stacking energy: -129.220
Base-Backbone interact. energy: 1.156
local terms energy: -252.987306
where:
bonds (distance) C4'-P energy: -77.815
bonds (distance) P-C4' energy: -89.005
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: 23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1886.116871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.116871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.116871 (E_RNA)
where:
Base-Base interactions energy: -1292.652
where: short stacking energy: -554.586
Base-Backbone interact. energy: -3.233
local terms energy: -590.232131
where:
bonds (distance) C4'-P energy: -104.867
bonds (distance) P-C4' energy: -123.779
flat angles C4'-P-C4' energy: -125.597
flat angles P-C4'-P energy: -79.798
tors. eta vs tors. theta energy: -156.192
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: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1798.407106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.407106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.407106 (E_RNA)
where:
Base-Base interactions energy: -1228.743
where: short stacking energy: -549.517
Base-Backbone interact. energy: 1.901
local terms energy: -571.564716
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -120.289
flat angles P-C4'-P energy: -84.379
tors. eta vs tors. theta energy: -166.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1725.760868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.760868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.760868 (E_RNA)
where:
Base-Base interactions energy: -1170.203
where: short stacking energy: -521.282
Base-Backbone interact. energy: -1.245
local terms energy: -554.313705
where:
bonds (distance) C4'-P energy: -97.921
bonds (distance) P-C4' energy: -114.375
flat angles C4'-P-C4' energy: -116.457
flat angles P-C4'-P energy: -68.697
tors. eta vs tors. theta energy: -156.864
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: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1680.678521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.678521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.678521 (E_RNA)
where:
Base-Base interactions energy: -1151.519
where: short stacking energy: -517.183
Base-Backbone interact. energy: 0.922
local terms energy: -530.082083
where:
bonds (distance) C4'-P energy: -104.564
bonds (distance) P-C4' energy: -107.592
flat angles C4'-P-C4' energy: -98.114
flat angles P-C4'-P energy: -73.049
tors. eta vs tors. theta energy: -146.763
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: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1634.224355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.224355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.224355 (E_RNA)
where:
Base-Base interactions energy: -1106.444
where: short stacking energy: -483.760
Base-Backbone interact. energy: -0.057
local terms energy: -527.723230
where:
bonds (distance) C4'-P energy: -93.774
bonds (distance) P-C4' energy: -92.962
flat angles C4'-P-C4' energy: -116.621
flat angles P-C4'-P energy: -84.746
tors. eta vs tors. theta energy: -139.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1481.994903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.994903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.994903 (E_RNA)
where:
Base-Base interactions energy: -998.543
where: short stacking energy: -415.114
Base-Backbone interact. energy: -0.939
local terms energy: -482.513377
where:
bonds (distance) C4'-P energy: -86.028
bonds (distance) P-C4' energy: -97.349
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -77.350
tors. eta vs tors. theta energy: -112.847
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: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1383.207574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.207574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.207574 (E_RNA)
where:
Base-Base interactions energy: -971.517
where: short stacking energy: -422.242
Base-Backbone interact. energy: 8.232
local terms energy: -419.922314
where:
bonds (distance) C4'-P energy: -76.553
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -92.599
flat angles P-C4'-P energy: -60.143
tors. eta vs tors. theta energy: -97.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1134.474575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.474575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.474575 (E_RNA)
where:
Base-Base interactions energy: -740.245
where: short stacking energy: -337.367
Base-Backbone interact. energy: -3.184
local terms energy: -391.045610
where:
bonds (distance) C4'-P energy: -91.255
bonds (distance) P-C4' energy: -90.264
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -61.218
tors. eta vs tors. theta energy: -56.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1023.212415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.212415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.212415 (E_RNA)
where:
Base-Base interactions energy: -665.648
where: short stacking energy: -282.888
Base-Backbone interact. energy: -1.224
local terms energy: -356.340190
where:
bonds (distance) C4'-P energy: -79.740
bonds (distance) P-C4' energy: -94.627
flat angles C4'-P-C4' energy: -81.026
flat angles P-C4'-P energy: -49.820
tors. eta vs tors. theta energy: -51.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -425.139802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.139802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.139802 (E_RNA)
where:
Base-Base interactions energy: -174.971
where: short stacking energy: -126.778
Base-Backbone interact. energy: 13.773
local terms energy: -263.941828
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -84.797
flat angles C4'-P-C4' energy: -79.759
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: 23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1899.892050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.892050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.892050 (E_RNA)
where:
Base-Base interactions energy: -1292.009
where: short stacking energy: -562.386
Base-Backbone interact. energy: 1.352
local terms energy: -609.234306
where:
bonds (distance) C4'-P energy: -120.268
bonds (distance) P-C4' energy: -125.384
flat angles C4'-P-C4' energy: -110.626
flat angles P-C4'-P energy: -84.353
tors. eta vs tors. theta energy: -168.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1792.115553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.115553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.115553 (E_RNA)
where:
Base-Base interactions energy: -1213.868
where: short stacking energy: -542.449
Base-Backbone interact. energy: -1.291
local terms energy: -576.956564
where:
bonds (distance) C4'-P energy: -113.783
bonds (distance) P-C4' energy: -101.507
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -83.439
tors. eta vs tors. theta energy: -164.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1726.169731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.169731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.169731 (E_RNA)
where:
Base-Base interactions energy: -1154.206
where: short stacking energy: -511.688
Base-Backbone interact. energy: -1.080
local terms energy: -570.883854
where:
bonds (distance) C4'-P energy: -105.032
bonds (distance) P-C4' energy: -108.986
flat angles C4'-P-C4' energy: -118.640
flat angles P-C4'-P energy: -85.359
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: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1715.353970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.353970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.353970 (E_RNA)
where:
Base-Base interactions energy: -1144.004
where: short stacking energy: -525.287
Base-Backbone interact. energy: -1.306
local terms energy: -570.043736
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -124.872
flat angles P-C4'-P energy: -83.496
tors. eta vs tors. theta energy: -162.418
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: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1616.902568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.902568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.902568 (E_RNA)
where:
Base-Base interactions energy: -1101.772
where: short stacking energy: -462.065
Base-Backbone interact. energy: 1.739
local terms energy: -516.869179
where:
bonds (distance) C4'-P energy: -102.333
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -113.828
flat angles P-C4'-P energy: -62.699
tors. eta vs tors. theta energy: -135.763
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: 350
Temperature: 1.150000
Total energy: -1518.512181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.512181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.512181 (E_RNA)
where:
Base-Base interactions energy: -1032.424
where: short stacking energy: -431.553
Base-Backbone interact. energy: -3.598
local terms energy: -482.490793
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -92.129
flat angles C4'-P-C4' energy: -103.225
flat angles P-C4'-P energy: -84.044
tors. eta vs tors. theta energy: -111.303
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: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1429.535951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.535951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.535951 (E_RNA)
where:
Base-Base interactions energy: -979.514
where: short stacking energy: -403.180
Base-Backbone interact. energy: 3.476
local terms energy: -453.497972
where:
bonds (distance) C4'-P energy: -88.916
bonds (distance) P-C4' energy: -82.943
flat angles C4'-P-C4' energy: -102.964
flat angles P-C4'-P energy: -63.214
tors. eta vs tors. theta energy: -115.462
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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1072.451434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.451434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.451434 (E_RNA)
where:
Base-Base interactions energy: -679.166
where: short stacking energy: -315.937
Base-Backbone interact. energy: 2.497
local terms energy: -395.782250
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -94.929
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -71.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -966.483089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.483089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.483089 (E_RNA)
where:
Base-Base interactions energy: -598.863
where: short stacking energy: -288.573
Base-Backbone interact. energy: 0.871
local terms energy: -368.490934
where:
bonds (distance) C4'-P energy: -87.043
bonds (distance) P-C4' energy: -97.344
flat angles C4'-P-C4' energy: -83.423
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -45.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -440.550075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.550075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.550075 (E_RNA)
where:
Base-Base interactions energy: -179.143
where: short stacking energy: -139.919
Base-Backbone interact. energy: -2.110
local terms energy: -259.296757
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: 20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1865.598635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.598635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.598635 (E_RNA)
where:
Base-Base interactions energy: -1290.968
where: short stacking energy: -582.985
Base-Backbone interact. energy: -2.362
local terms energy: -572.268253
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -101.429
flat angles C4'-P-C4' energy: -121.173
flat angles P-C4'-P energy: -73.040
tors. eta vs tors. theta energy: -172.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1792.631553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.631553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.631553 (E_RNA)
where:
Base-Base interactions energy: -1229.755
where: short stacking energy: -528.624
Base-Backbone interact. energy: -1.705
local terms energy: -561.171650
where:
bonds (distance) C4'-P energy: -93.444
bonds (distance) P-C4' energy: -116.036
flat angles C4'-P-C4' energy: -118.314
flat angles P-C4'-P energy: -78.502
tors. eta vs tors. theta energy: -154.876
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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1704.498012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.498012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.498012 (E_RNA)
where:
Base-Base interactions energy: -1183.261
where: short stacking energy: -514.626
Base-Backbone interact. energy: -1.803
local terms energy: -519.434873
where:
bonds (distance) C4'-P energy: -94.762
bonds (distance) P-C4' energy: -101.130
flat angles C4'-P-C4' energy: -115.368
flat angles P-C4'-P energy: -71.104
tors. eta vs tors. theta energy: -137.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1663.836704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.836704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.836704 (E_RNA)
where:
Base-Base interactions energy: -1130.782
where: short stacking energy: -492.048
Base-Backbone interact. energy: -0.160
local terms energy: -532.894587
where:
bonds (distance) C4'-P energy: -99.262
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -75.064
tors. eta vs tors. theta energy: -154.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1672.201663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.201663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.201663 (E_RNA)
where:
Base-Base interactions energy: -1128.388
where: short stacking energy: -502.481
Base-Backbone interact. energy: -0.733
local terms energy: -543.080738
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -105.945
flat angles C4'-P-C4' energy: -117.994
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -149.630
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: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1550.645447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.645447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.645447 (E_RNA)
where:
Base-Base interactions energy: -1047.048
where: short stacking energy: -470.334
Base-Backbone interact. energy: -1.047
local terms energy: -502.550666
where:
bonds (distance) C4'-P energy: -84.888
bonds (distance) P-C4' energy: -105.520
flat angles C4'-P-C4' energy: -110.144
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -129.810
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: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1364.589158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.589158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.589158 (E_RNA)
where:
Base-Base interactions energy: -941.668
where: short stacking energy: -410.914
Base-Backbone interact. energy: -0.508
local terms energy: -422.413066
where:
bonds (distance) C4'-P energy: -66.123
bonds (distance) P-C4' energy: -105.794
flat angles C4'-P-C4' energy: -87.551
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -105.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1197.189478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.189478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.189478 (E_RNA)
where:
Base-Base interactions energy: -808.797
where: short stacking energy: -354.120
Base-Backbone interact. energy: 3.654
local terms energy: -392.047296
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -84.025
flat angles C4'-P-C4' energy: -98.085
flat angles P-C4'-P energy: -63.337
tors. eta vs tors. theta energy: -67.175
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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -972.214527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.214527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.214527 (E_RNA)
where:
Base-Base interactions energy: -609.423
where: short stacking energy: -262.428
Base-Backbone interact. energy: 2.631
local terms energy: -365.422109
where:
bonds (distance) C4'-P energy: -85.653
bonds (distance) P-C4' energy: -96.122
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -435.444126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.444126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.444126 (E_RNA)
where:
Base-Base interactions energy: -161.879
where: short stacking energy: -136.114
Base-Backbone interact. energy: 1.271
local terms energy: -274.836703
where:
bonds (distance) C4'-P energy: -80.407
bonds (distance) P-C4' energy: -97.357
flat angles C4'-P-C4' energy: -71.183
flat angles P-C4'-P energy: -46.883
tors. eta vs tors. theta energy: 20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1904.050314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.050314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.050314 (E_RNA)
where:
Base-Base interactions energy: -1301.417
where: short stacking energy: -583.840
Base-Backbone interact. energy: -0.414
local terms energy: -602.219582
where:
bonds (distance) C4'-P energy: -103.298
bonds (distance) P-C4' energy: -106.159
flat angles C4'-P-C4' energy: -127.550
flat angles P-C4'-P energy: -89.229
tors. eta vs tors. theta energy: -175.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1807.015720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.015720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.015720 (E_RNA)
where:
Base-Base interactions energy: -1237.574
where: short stacking energy: -550.092
Base-Backbone interact. energy: -0.615
local terms energy: -568.826816
where:
bonds (distance) C4'-P energy: -98.799
bonds (distance) P-C4' energy: -102.442
flat angles C4'-P-C4' energy: -123.989
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -153.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1744.628443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.628443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.628443 (E_RNA)
where:
Base-Base interactions energy: -1208.004
where: short stacking energy: -548.913
Base-Backbone interact. energy: 0.102
local terms energy: -536.726073
where:
bonds (distance) C4'-P energy: -96.946
bonds (distance) P-C4' energy: -100.114
flat angles C4'-P-C4' energy: -120.048
flat angles P-C4'-P energy: -66.797
tors. eta vs tors. theta energy: -152.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1665.752214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.752214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.752214 (E_RNA)
where:
Base-Base interactions energy: -1123.059
where: short stacking energy: -512.223
Base-Backbone interact. energy: -3.596
local terms energy: -539.097539
where:
bonds (distance) C4'-P energy: -96.693
bonds (distance) P-C4' energy: -99.268
flat angles C4'-P-C4' energy: -113.333
flat angles P-C4'-P energy: -73.143
tors. eta vs tors. theta energy: -156.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1589.163383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.163383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.163383 (E_RNA)
where:
Base-Base interactions energy: -1078.317
where: short stacking energy: -471.506
Base-Backbone interact. energy: -1.744
local terms energy: -509.101998
where:
bonds (distance) C4'-P energy: -105.980
bonds (distance) P-C4' energy: -96.417
flat angles C4'-P-C4' energy: -92.057
flat angles P-C4'-P energy: -76.850
tors. eta vs tors. theta energy: -137.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1549.290236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.290236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.290236 (E_RNA)
where:
Base-Base interactions energy: -1036.864
where: short stacking energy: -446.247
Base-Backbone interact. energy: 0.726
local terms energy: -513.152666
where:
bonds (distance) C4'-P energy: -103.891
bonds (distance) P-C4' energy: -114.469
flat angles C4'-P-C4' energy: -101.116
flat angles P-C4'-P energy: -73.556
tors. eta vs tors. theta energy: -120.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1387.653379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.653379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.653379 (E_RNA)
where:
Base-Base interactions energy: -945.064
where: short stacking energy: -414.061
Base-Backbone interact. energy: -0.989
local terms energy: -441.599936
where:
bonds (distance) C4'-P energy: -72.871
bonds (distance) P-C4' energy: -84.440
flat angles C4'-P-C4' energy: -108.959
flat angles P-C4'-P energy: -76.241
tors. eta vs tors. theta energy: -99.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1199.457032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.457032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.457032 (E_RNA)
where:
Base-Base interactions energy: -801.809
where: short stacking energy: -366.511
Base-Backbone interact. energy: 4.328
local terms energy: -401.975606
where:
bonds (distance) C4'-P energy: -78.163
bonds (distance) P-C4' energy: -83.183
flat angles C4'-P-C4' energy: -101.402
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -92.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -940.286725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.286725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.286725 (E_RNA)
where:
Base-Base interactions energy: -570.471
where: short stacking energy: -255.771
Base-Backbone interact. energy: -2.934
local terms energy: -366.881372
where:
bonds (distance) C4'-P energy: -81.732
bonds (distance) P-C4' energy: -114.929
flat angles C4'-P-C4' energy: -84.870
flat angles P-C4'-P energy: -56.726
tors. eta vs tors. theta energy: -28.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -430.736278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.736278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.736278 (E_RNA)
where:
Base-Base interactions energy: -167.765
where: short stacking energy: -133.085
Base-Backbone interact. energy: 1.648
local terms energy: -264.618849
where:
bonds (distance) C4'-P energy: -69.256
bonds (distance) P-C4' energy: -99.644
flat angles C4'-P-C4' energy: -67.192
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: 8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1889.731022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.731022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.731022 (E_RNA)
where:
Base-Base interactions energy: -1293.827
where: short stacking energy: -589.315
Base-Backbone interact. energy: -0.371
local terms energy: -595.533560
where:
bonds (distance) C4'-P energy: -100.037
bonds (distance) P-C4' energy: -114.649
flat angles C4'-P-C4' energy: -127.531
flat angles P-C4'-P energy: -78.820
tors. eta vs tors. theta energy: -174.497
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: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1830.110832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.110832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.110832 (E_RNA)
where:
Base-Base interactions energy: -1244.909
where: short stacking energy: -542.500
Base-Backbone interact. energy: -2.025
local terms energy: -583.176851
where:
bonds (distance) C4'-P energy: -107.789
bonds (distance) P-C4' energy: -114.655
flat angles C4'-P-C4' energy: -126.080
flat angles P-C4'-P energy: -79.265
tors. eta vs tors. theta energy: -155.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1755.531558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.531558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.531558 (E_RNA)
where:
Base-Base interactions energy: -1196.601
where: short stacking energy: -552.096
Base-Backbone interact. energy: -0.096
local terms energy: -558.834218
where:
bonds (distance) C4'-P energy: -86.835
bonds (distance) P-C4' energy: -88.060
flat angles C4'-P-C4' energy: -125.070
flat angles P-C4'-P energy: -96.027
tors. eta vs tors. theta energy: -162.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1677.338451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.338451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.338451 (E_RNA)
where:
Base-Base interactions energy: -1135.664
where: short stacking energy: -506.991
Base-Backbone interact. energy: -1.354
local terms energy: -540.320073
where:
bonds (distance) C4'-P energy: -101.494
bonds (distance) P-C4' energy: -101.549
flat angles C4'-P-C4' energy: -112.415
flat angles P-C4'-P energy: -71.679
tors. eta vs tors. theta energy: -153.184
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: 353
Temperature: 1.100000
Total energy: -1611.928998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.928998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.928998 (E_RNA)
where:
Base-Base interactions energy: -1096.075
where: short stacking energy: -485.067
Base-Backbone interact. energy: -0.281
local terms energy: -515.573121
where:
bonds (distance) C4'-P energy: -90.576
bonds (distance) P-C4' energy: -102.979
flat angles C4'-P-C4' energy: -105.267
flat angles P-C4'-P energy: -76.300
tors. eta vs tors. theta energy: -140.451
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1581.498872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.498872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.498872 (E_RNA)
where:
Base-Base interactions energy: -1095.269
where: short stacking energy: -482.918
Base-Backbone interact. energy: 3.171
local terms energy: -489.400891
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -98.277
flat angles C4'-P-C4' energy: -117.046
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -127.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1406.859671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.859671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.859671 (E_RNA)
where:
Base-Base interactions energy: -931.153
where: short stacking energy: -411.763
Base-Backbone interact. energy: -2.016
local terms energy: -473.690564
where:
bonds (distance) C4'-P energy: -85.776
bonds (distance) P-C4' energy: -106.485
flat angles C4'-P-C4' energy: -113.757
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -108.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1183.391028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.391028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.391028 (E_RNA)
where:
Base-Base interactions energy: -775.030
where: short stacking energy: -331.743
Base-Backbone interact. energy: -3.202
local terms energy: -405.158471
where:
bonds (distance) C4'-P energy: -84.625
bonds (distance) P-C4' energy: -88.117
flat angles C4'-P-C4' energy: -100.269
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -73.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -916.867084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.867084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.867084 (E_RNA)
where:
Base-Base interactions energy: -573.026
where: short stacking energy: -250.658
Base-Backbone interact. energy: 1.815
local terms energy: -345.656067
where:
bonds (distance) C4'-P energy: -84.326
bonds (distance) P-C4' energy: -96.659
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -43.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -423.555865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.555865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.555865 (E_RNA)
where:
Base-Base interactions energy: -153.770
where: short stacking energy: -145.639
Base-Backbone interact. energy: -1.512
local terms energy: -268.273598
where:
bonds (distance) C4'-P energy: -77.502
bonds (distance) P-C4' energy: -84.671
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: 2.585
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: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1889.855296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.855296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.855296 (E_RNA)
where:
Base-Base interactions energy: -1300.219
where: short stacking energy: -576.584
Base-Backbone interact. energy: 2.348
local terms energy: -591.984085
where:
bonds (distance) C4'-P energy: -105.038
bonds (distance) P-C4' energy: -111.050
flat angles C4'-P-C4' energy: -123.748
flat angles P-C4'-P energy: -83.001
tors. eta vs tors. theta energy: -169.147
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: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1822.714270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.714270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.714270 (E_RNA)
where:
Base-Base interactions energy: -1255.014
where: short stacking energy: -556.476
Base-Backbone interact. energy: 0.438
local terms energy: -568.138526
where:
bonds (distance) C4'-P energy: -92.594
bonds (distance) P-C4' energy: -108.058
flat angles C4'-P-C4' energy: -133.315
flat angles P-C4'-P energy: -69.675
tors. eta vs tors. theta energy: -164.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1728.669492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.669492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.669492 (E_RNA)
where:
Base-Base interactions energy: -1185.091
where: short stacking energy: -511.060
Base-Backbone interact. energy: 3.124
local terms energy: -546.703409
where:
bonds (distance) C4'-P energy: -103.401
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -116.330
flat angles P-C4'-P energy: -85.607
tors. eta vs tors. theta energy: -151.332
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: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1695.195438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.195438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.195438 (E_RNA)
where:
Base-Base interactions energy: -1166.376
where: short stacking energy: -519.126
Base-Backbone interact. energy: 0.471
local terms energy: -529.290187
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -104.391
flat angles P-C4'-P energy: -69.608
tors. eta vs tors. theta energy: -156.874
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1597.870248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.870248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.870248 (E_RNA)
where:
Base-Base interactions energy: -1078.920
where: short stacking energy: -467.344
Base-Backbone interact. energy: -4.126
local terms energy: -514.823584
where:
bonds (distance) C4'-P energy: -105.738
bonds (distance) P-C4' energy: -82.630
flat angles C4'-P-C4' energy: -109.299
flat angles P-C4'-P energy: -80.193
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: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1590.988245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.988245 (E_RNA)
where:
Base-Base interactions energy: -1062.073
where: short stacking energy: -465.075
Base-Backbone interact. energy: -0.707
local terms energy: -528.208103
where:
bonds (distance) C4'-P energy: -100.360
bonds (distance) P-C4' energy: -113.506
flat angles C4'-P-C4' energy: -112.831
flat angles P-C4'-P energy: -65.013
tors. eta vs tors. theta energy: -136.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1350.811786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.811786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.811786 (E_RNA)
where:
Base-Base interactions energy: -901.843
where: short stacking energy: -382.400
Base-Backbone interact. energy: 0.853
local terms energy: -449.821094
where:
bonds (distance) C4'-P energy: -86.707
bonds (distance) P-C4' energy: -96.506
flat angles C4'-P-C4' energy: -92.918
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -102.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1179.199896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.199896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.199896 (E_RNA)
where:
Base-Base interactions energy: -767.539
where: short stacking energy: -318.765
Base-Backbone interact. energy: -2.177
local terms energy: -409.484570
where:
bonds (distance) C4'-P energy: -98.782
bonds (distance) P-C4' energy: -104.811
flat angles C4'-P-C4' energy: -95.339
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -58.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1082.765097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.765097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.765097 (E_RNA)
where:
Base-Base interactions energy: -691.259
where: short stacking energy: -315.885
Base-Backbone interact. energy: 3.157
local terms energy: -394.662798
where:
bonds (distance) C4'-P energy: -88.869
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -64.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -426.873356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.873356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.873356 (E_RNA)
where:
Base-Base interactions energy: -140.558
where: short stacking energy: -108.441
Base-Backbone interact. energy: 9.299
local terms energy: -295.614538
where:
bonds (distance) C4'-P energy: -87.436
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: 4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1903.017557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.017557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.017557 (E_RNA)
where:
Base-Base interactions energy: -1311.627
where: short stacking energy: -568.887
Base-Backbone interact. energy: -1.730
local terms energy: -589.660216
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -115.387
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -87.390
tors. eta vs tors. theta energy: -171.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1831.151361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.151361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.151361 (E_RNA)
where:
Base-Base interactions energy: -1252.458
where: short stacking energy: -549.188
Base-Backbone interact. energy: -1.975
local terms energy: -576.718595
where:
bonds (distance) C4'-P energy: -101.039
bonds (distance) P-C4' energy: -109.129
flat angles C4'-P-C4' energy: -120.342
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -160.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1756.308102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.308102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.308102 (E_RNA)
where:
Base-Base interactions energy: -1199.585
where: short stacking energy: -527.904
Base-Backbone interact. energy: 0.712
local terms energy: -557.434970
where:
bonds (distance) C4'-P energy: -88.981
bonds (distance) P-C4' energy: -115.454
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -86.905
tors. eta vs tors. theta energy: -158.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1696.995386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.995386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.995386 (E_RNA)
where:
Base-Base interactions energy: -1156.445
where: short stacking energy: -521.276
Base-Backbone interact. energy: 0.541
local terms energy: -541.091054
where:
bonds (distance) C4'-P energy: -103.565
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -121.161
flat angles P-C4'-P energy: -77.839
tors. eta vs tors. theta energy: -158.352
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: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1592.056651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.056651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.056651 (E_RNA)
where:
Base-Base interactions energy: -1073.483
where: short stacking energy: -477.191
Base-Backbone interact. energy: 0.555
local terms energy: -519.129137
where:
bonds (distance) C4'-P energy: -98.254
bonds (distance) P-C4' energy: -113.192
flat angles C4'-P-C4' energy: -112.162
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -129.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1582.831871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.831871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.831871 (E_RNA)
where:
Base-Base interactions energy: -1080.634
where: short stacking energy: -477.335
Base-Backbone interact. energy: 0.540
local terms energy: -502.737663
where:
bonds (distance) C4'-P energy: -82.974
bonds (distance) P-C4' energy: -91.392
flat angles C4'-P-C4' energy: -117.692
flat angles P-C4'-P energy: -71.998
tors. eta vs tors. theta energy: -138.681
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: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1379.622771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.622771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.622771 (E_RNA)
where:
Base-Base interactions energy: -940.167
where: short stacking energy: -421.047
Base-Backbone interact. energy: 0.852
local terms energy: -440.307442
where:
bonds (distance) C4'-P energy: -82.025
bonds (distance) P-C4' energy: -90.727
flat angles C4'-P-C4' energy: -95.751
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -104.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1174.414570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.414570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.414570 (E_RNA)
where:
Base-Base interactions energy: -791.369
where: short stacking energy: -356.022
Base-Backbone interact. energy: -1.871
local terms energy: -381.174357
where:
bonds (distance) C4'-P energy: -73.897
bonds (distance) P-C4' energy: -85.801
flat angles C4'-P-C4' energy: -97.607
flat angles P-C4'-P energy: -54.201
tors. eta vs tors. theta energy: -69.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1090.044310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.044310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.044310 (E_RNA)
where:
Base-Base interactions energy: -692.553
where: short stacking energy: -323.224
Base-Backbone interact. energy: -0.253
local terms energy: -397.238633
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -87.059
flat angles C4'-P-C4' energy: -104.006
flat angles P-C4'-P energy: -53.085
tors. eta vs tors. theta energy: -63.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -474.056693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.056693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.056693 (E_RNA)
where:
Base-Base interactions energy: -168.662
where: short stacking energy: -142.593
Base-Backbone interact. energy: 1.349
local terms energy: -306.744051
where:
bonds (distance) C4'-P energy: -100.045
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1918.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.477986 (E_RNA)
where:
Base-Base interactions energy: -1319.276
where: short stacking energy: -585.425
Base-Backbone interact. energy: 4.588
local terms energy: -603.789246
where:
bonds (distance) C4'-P energy: -105.632
bonds (distance) P-C4' energy: -112.497
flat angles C4'-P-C4' energy: -125.912
flat angles P-C4'-P energy: -87.709
tors. eta vs tors. theta energy: -172.040
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: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1827.357608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.357608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.357608 (E_RNA)
where:
Base-Base interactions energy: -1273.745
where: short stacking energy: -558.617
Base-Backbone interact. energy: -1.016
local terms energy: -552.596324
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -102.915
flat angles C4'-P-C4' energy: -123.302
flat angles P-C4'-P energy: -70.098
tors. eta vs tors. theta energy: -160.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1764.568595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.568595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.568595 (E_RNA)
where:
Base-Base interactions energy: -1199.530
where: short stacking energy: -531.917
Base-Backbone interact. energy: -2.088
local terms energy: -562.950741
where:
bonds (distance) C4'-P energy: -100.123
bonds (distance) P-C4' energy: -106.226
flat angles C4'-P-C4' energy: -124.834
flat angles P-C4'-P energy: -80.076
tors. eta vs tors. theta energy: -151.692
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1653.501554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.501554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.501554 (E_RNA)
where:
Base-Base interactions energy: -1133.658
where: short stacking energy: -487.204
Base-Backbone interact. energy: -2.119
local terms energy: -517.724676
where:
bonds (distance) C4'-P energy: -104.552
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -113.953
flat angles P-C4'-P energy: -76.060
tors. eta vs tors. theta energy: -128.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1626.501166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.501166 (E_RNA)
where:
Base-Base interactions energy: -1102.432
where: short stacking energy: -467.988
Base-Backbone interact. energy: 0.908
local terms energy: -524.976579
where:
bonds (distance) C4'-P energy: -111.393
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -109.770
flat angles P-C4'-P energy: -73.156
tors. eta vs tors. theta energy: -135.254
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: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1543.577469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.577469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.577469 (E_RNA)
where:
Base-Base interactions energy: -1087.876
where: short stacking energy: -443.892
Base-Backbone interact. energy: 2.523
local terms energy: -458.224198
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -94.441
flat angles C4'-P-C4' energy: -102.272
flat angles P-C4'-P energy: -57.507
tors. eta vs tors. theta energy: -128.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1430.924678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.924678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.924678 (E_RNA)
where:
Base-Base interactions energy: -951.645
where: short stacking energy: -389.886
Base-Backbone interact. energy: -3.601
local terms energy: -475.678221
where:
bonds (distance) C4'-P energy: -84.520
bonds (distance) P-C4' energy: -99.160
flat angles C4'-P-C4' energy: -109.518
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -115.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1131.316946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.316946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.316946 (E_RNA)
where:
Base-Base interactions energy: -739.071
where: short stacking energy: -340.011
Base-Backbone interact. energy: 3.000
local terms energy: -395.246101
where:
bonds (distance) C4'-P energy: -97.561
bonds (distance) P-C4' energy: -99.468
flat angles C4'-P-C4' energy: -90.211
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -60.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1019.598728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.598728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.598728 (E_RNA)
where:
Base-Base interactions energy: -641.865
where: short stacking energy: -284.214
Base-Backbone interact. energy: 1.611
local terms energy: -379.345642
where:
bonds (distance) C4'-P energy: -78.109
bonds (distance) P-C4' energy: -99.806
flat angles C4'-P-C4' energy: -87.540
flat angles P-C4'-P energy: -63.526
tors. eta vs tors. theta energy: -50.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -457.008824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.008824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.008824 (E_RNA)
where:
Base-Base interactions energy: -146.744
where: short stacking energy: -129.786
Base-Backbone interact. energy: -2.708
local terms energy: -307.556648
where:
bonds (distance) C4'-P energy: -102.710
bonds (distance) P-C4' energy: -94.736
flat angles C4'-P-C4' energy: -82.834
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: 5.048
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: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1911.200469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.200469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.200469 (E_RNA)
where:
Base-Base interactions energy: -1305.875
where: short stacking energy: -562.374
Base-Backbone interact. energy: -1.403
local terms energy: -603.922112
where:
bonds (distance) C4'-P energy: -108.259
bonds (distance) P-C4' energy: -119.761
flat angles C4'-P-C4' energy: -129.273
flat angles P-C4'-P energy: -78.028
tors. eta vs tors. theta energy: -168.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1818.545863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.545863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.545863 (E_RNA)
where:
Base-Base interactions energy: -1255.600
where: short stacking energy: -548.330
Base-Backbone interact. energy: -1.831
local terms energy: -561.114962
where:
bonds (distance) C4'-P energy: -104.941
bonds (distance) P-C4' energy: -103.714
flat angles C4'-P-C4' energy: -119.135
flat angles P-C4'-P energy: -83.928
tors. eta vs tors. theta energy: -149.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1742.884028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.884028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.884028 (E_RNA)
where:
Base-Base interactions energy: -1175.004
where: short stacking energy: -519.551
Base-Backbone interact. energy: -1.952
local terms energy: -565.928097
where:
bonds (distance) C4'-P energy: -104.903
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -117.420
flat angles P-C4'-P energy: -88.320
tors. eta vs tors. theta energy: -154.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1660.541638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.541638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.541638 (E_RNA)
where:
Base-Base interactions energy: -1138.673
where: short stacking energy: -485.032
Base-Backbone interact. energy: -2.045
local terms energy: -519.823603
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -98.380
flat angles C4'-P-C4' energy: -117.982
flat angles P-C4'-P energy: -63.861
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1597.682245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.682245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.682245 (E_RNA)
where:
Base-Base interactions energy: -1088.124
where: short stacking energy: -473.194
Base-Backbone interact. energy: 0.179
local terms energy: -509.736819
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -90.923
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -69.934
tors. eta vs tors. theta energy: -135.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1544.739036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.739036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.739036 (E_RNA)
where:
Base-Base interactions energy: -1057.092
where: short stacking energy: -432.908
Base-Backbone interact. energy: -0.371
local terms energy: -487.276851
where:
bonds (distance) C4'-P energy: -98.452
bonds (distance) P-C4' energy: -93.194
flat angles C4'-P-C4' energy: -105.881
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -118.740
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: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1426.340317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.340317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.340317 (E_RNA)
where:
Base-Base interactions energy: -938.603
where: short stacking energy: -408.598
Base-Backbone interact. energy: 1.282
local terms energy: -489.019591
where:
bonds (distance) C4'-P energy: -95.479
bonds (distance) P-C4' energy: -100.071
flat angles C4'-P-C4' energy: -100.421
flat angles P-C4'-P energy: -78.274
tors. eta vs tors. theta energy: -114.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1077.468377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.468377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.468377 (E_RNA)
where:
Base-Base interactions energy: -704.422
where: short stacking energy: -309.152
Base-Backbone interact. energy: -0.328
local terms energy: -372.718818
where:
bonds (distance) C4'-P energy: -77.438
bonds (distance) P-C4' energy: -102.612
flat angles C4'-P-C4' energy: -99.335
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1116.052259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.052259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.052259 (E_RNA)
where:
Base-Base interactions energy: -730.126
where: short stacking energy: -299.502
Base-Backbone interact. energy: -0.979
local terms energy: -384.947159
where:
bonds (distance) C4'-P energy: -95.624
bonds (distance) P-C4' energy: -83.636
flat angles C4'-P-C4' energy: -85.544
flat angles P-C4'-P energy: -54.895
tors. eta vs tors. theta energy: -65.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -407.173813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.173813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.173813 (E_RNA)
where:
Base-Base interactions energy: -114.289
where: short stacking energy: -106.034
Base-Backbone interact. energy: 0.536
local terms energy: -293.421443
where:
bonds (distance) C4'-P energy: -97.104
bonds (distance) P-C4' energy: -100.270
flat angles C4'-P-C4' energy: -86.611
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: 28.671
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: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1923.419894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.419894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.419894 (E_RNA)
where:
Base-Base interactions energy: -1329.429
where: short stacking energy: -578.078
Base-Backbone interact. energy: -2.255
local terms energy: -591.735459
where:
bonds (distance) C4'-P energy: -108.125
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -117.205
flat angles P-C4'-P energy: -88.060
tors. eta vs tors. theta energy: -170.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1843.740346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.740346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.740346 (E_RNA)
where:
Base-Base interactions energy: -1242.711
where: short stacking energy: -544.765
Base-Backbone interact. energy: -3.123
local terms energy: -597.906929
where:
bonds (distance) C4'-P energy: -107.176
bonds (distance) P-C4' energy: -117.865
flat angles C4'-P-C4' energy: -124.358
flat angles P-C4'-P energy: -86.390
tors. eta vs tors. theta energy: -162.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1746.192676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.192676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.192676 (E_RNA)
where:
Base-Base interactions energy: -1190.499
where: short stacking energy: -537.875
Base-Backbone interact. energy: -0.154
local terms energy: -555.539887
where:
bonds (distance) C4'-P energy: -85.744
bonds (distance) P-C4' energy: -108.401
flat angles C4'-P-C4' energy: -116.101
flat angles P-C4'-P energy: -85.287
tors. eta vs tors. theta energy: -160.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1648.037037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.037037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.037037 (E_RNA)
where:
Base-Base interactions energy: -1120.042
where: short stacking energy: -474.484
Base-Backbone interact. energy: -1.126
local terms energy: -526.869252
where:
bonds (distance) C4'-P energy: -105.637
bonds (distance) P-C4' energy: -86.620
flat angles C4'-P-C4' energy: -116.585
flat angles P-C4'-P energy: -76.674
tors. eta vs tors. theta energy: -141.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1575.439993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.439993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.439993 (E_RNA)
where:
Base-Base interactions energy: -1070.938
where: short stacking energy: -494.584
Base-Backbone interact. energy: -0.821
local terms energy: -503.681306
where:
bonds (distance) C4'-P energy: -107.013
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -97.812
flat angles P-C4'-P energy: -68.005
tors. eta vs tors. theta energy: -123.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1518.988178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.988178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.988178 (E_RNA)
where:
Base-Base interactions energy: -1026.445
where: short stacking energy: -455.401
Base-Backbone interact. energy: -2.575
local terms energy: -489.968015
where:
bonds (distance) C4'-P energy: -84.956
bonds (distance) P-C4' energy: -89.974
flat angles C4'-P-C4' energy: -114.383
flat angles P-C4'-P energy: -79.269
tors. eta vs tors. theta energy: -121.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1457.866156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.866156 (E_RNA)
where:
Base-Base interactions energy: -975.441
where: short stacking energy: -409.958
Base-Backbone interact. energy: 0.025
local terms energy: -482.450087
where:
bonds (distance) C4'-P energy: -104.007
bonds (distance) P-C4' energy: -100.287
flat angles C4'-P-C4' energy: -105.964
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: -116.282
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: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1065.650973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.650973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.650973 (E_RNA)
where:
Base-Base interactions energy: -675.891
where: short stacking energy: -326.156
Base-Backbone interact. energy: 4.217
local terms energy: -393.977251
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -88.954
flat angles C4'-P-C4' energy: -92.925
flat angles P-C4'-P energy: -63.810
tors. eta vs tors. theta energy: -57.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1046.153423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.153423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.153423 (E_RNA)
where:
Base-Base interactions energy: -658.085
where: short stacking energy: -295.817
Base-Backbone interact. energy: -3.477
local terms energy: -384.592123
where:
bonds (distance) C4'-P energy: -90.655
bonds (distance) P-C4' energy: -80.704
flat angles C4'-P-C4' energy: -82.998
flat angles P-C4'-P energy: -65.602
tors. eta vs tors. theta energy: -64.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -443.760141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.760141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.760141 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -141.203
Base-Backbone interact. energy: -0.873
local terms energy: -287.084548
where:
bonds (distance) C4'-P energy: -88.949
bonds (distance) P-C4' energy: -90.839
flat angles C4'-P-C4' energy: -73.826
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: 8.923
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1922.042439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.042439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.042439 (E_RNA)
where:
Base-Base interactions energy: -1344.680
where: short stacking energy: -574.686
Base-Backbone interact. energy: -4.869
local terms energy: -572.492953
where:
bonds (distance) C4'-P energy: -101.322
bonds (distance) P-C4' energy: -85.580
flat angles C4'-P-C4' energy: -125.393
flat angles P-C4'-P energy: -84.268
tors. eta vs tors. theta energy: -175.931
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: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1826.052868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.052868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.052868 (E_RNA)
where:
Base-Base interactions energy: -1249.839
where: short stacking energy: -545.573
Base-Backbone interact. energy: 2.459
local terms energy: -578.673129
where:
bonds (distance) C4'-P energy: -104.699
bonds (distance) P-C4' energy: -117.586
flat angles C4'-P-C4' energy: -115.954
flat angles P-C4'-P energy: -75.586
tors. eta vs tors. theta energy: -164.849
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: 359
Temperature: 1.000000
Total energy: -1734.012114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.012114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.012114 (E_RNA)
where:
Base-Base interactions energy: -1169.985
where: short stacking energy: -546.208
Base-Backbone interact. energy: -1.433
local terms energy: -562.594040
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -115.089
flat angles C4'-P-C4' energy: -113.645
flat angles P-C4'-P energy: -80.037
tors. eta vs tors. theta energy: -152.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1675.420524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.420524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.420524 (E_RNA)
where:
Base-Base interactions energy: -1169.197
where: short stacking energy: -478.232
Base-Backbone interact. energy: 0.179
local terms energy: -506.402507
where:
bonds (distance) C4'-P energy: -85.357
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -113.892
flat angles P-C4'-P energy: -73.770
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: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1626.652070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.652070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.652070 (E_RNA)
where:
Base-Base interactions energy: -1112.304
where: short stacking energy: -497.646
Base-Backbone interact. energy: -0.277
local terms energy: -514.070479
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -89.897
flat angles C4'-P-C4' energy: -109.908
flat angles P-C4'-P energy: -78.535
tors. eta vs tors. theta energy: -147.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1588.676296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.676296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.676296 (E_RNA)
where:
Base-Base interactions energy: -1097.463
where: short stacking energy: -448.639
Base-Backbone interact. energy: -3.317
local terms energy: -487.896130
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -86.159
flat angles C4'-P-C4' energy: -116.251
flat angles P-C4'-P energy: -71.817
tors. eta vs tors. theta energy: -133.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1408.131889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.131889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.131889 (E_RNA)
where:
Base-Base interactions energy: -966.008
where: short stacking energy: -426.830
Base-Backbone interact. energy: 0.964
local terms energy: -443.088522
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -68.732
flat angles C4'-P-C4' energy: -109.207
flat angles P-C4'-P energy: -53.231
tors. eta vs tors. theta energy: -103.359
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: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1052.980892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.980892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.980892 (E_RNA)
where:
Base-Base interactions energy: -659.518
where: short stacking energy: -294.284
Base-Backbone interact. energy: 0.567
local terms energy: -394.029611
where:
bonds (distance) C4'-P energy: -85.097
bonds (distance) P-C4' energy: -90.951
flat angles C4'-P-C4' energy: -96.165
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -60.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -978.328716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.328716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.328716 (E_RNA)
where:
Base-Base interactions energy: -635.651
where: short stacking energy: -265.631
Base-Backbone interact. energy: 3.001
local terms energy: -345.678422
where:
bonds (distance) C4'-P energy: -87.185
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -78.317
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -37.673
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: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -435.029792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.029792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.029792 (E_RNA)
where:
Base-Base interactions energy: -151.869
where: short stacking energy: -121.366
Base-Backbone interact. energy: 0.537
local terms energy: -283.697456
where:
bonds (distance) C4'-P energy: -96.307
bonds (distance) P-C4' energy: -105.461
flat angles C4'-P-C4' energy: -56.695
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: 16.912
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1900.573885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.573885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.573885 (E_RNA)
where:
Base-Base interactions energy: -1320.391
where: short stacking energy: -557.844
Base-Backbone interact. energy: 0.476
local terms energy: -580.659376
where:
bonds (distance) C4'-P energy: -109.404
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -123.267
flat angles P-C4'-P energy: -71.364
tors. eta vs tors. theta energy: -164.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1825.901370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.901370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.901370 (E_RNA)
where:
Base-Base interactions energy: -1261.639
where: short stacking energy: -556.201
Base-Backbone interact. energy: -1.332
local terms energy: -562.930525
where:
bonds (distance) C4'-P energy: -107.982
bonds (distance) P-C4' energy: -102.995
flat angles C4'-P-C4' energy: -115.847
flat angles P-C4'-P energy: -74.946
tors. eta vs tors. theta energy: -161.161
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: 360
Temperature: 1.000000
Total energy: -1762.965053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.965053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.965053 (E_RNA)
where:
Base-Base interactions energy: -1207.361
where: short stacking energy: -549.484
Base-Backbone interact. energy: -1.612
local terms energy: -553.992001
where:
bonds (distance) C4'-P energy: -92.221
bonds (distance) P-C4' energy: -97.283
flat angles C4'-P-C4' energy: -114.701
flat angles P-C4'-P energy: -86.366
tors. eta vs tors. theta energy: -163.421
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1710.200079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.200079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.200079 (E_RNA)
where:
Base-Base interactions energy: -1168.774
where: short stacking energy: -502.859
Base-Backbone interact. energy: 1.918
local terms energy: -543.344421
where:
bonds (distance) C4'-P energy: -100.908
bonds (distance) P-C4' energy: -109.136
flat angles C4'-P-C4' energy: -113.080
flat angles P-C4'-P energy: -76.265
tors. eta vs tors. theta energy: -143.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1642.057079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.057079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.057079 (E_RNA)
where:
Base-Base interactions energy: -1126.435
where: short stacking energy: -485.990
Base-Backbone interact. energy: -1.176
local terms energy: -514.446385
where:
bonds (distance) C4'-P energy: -106.318
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -108.780
flat angles P-C4'-P energy: -71.432
tors. eta vs tors. theta energy: -140.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1528.143532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.143532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.143532 (E_RNA)
where:
Base-Base interactions energy: -1057.028
where: short stacking energy: -435.332
Base-Backbone interact. energy: -0.650
local terms energy: -470.465755
where:
bonds (distance) C4'-P energy: -81.801
bonds (distance) P-C4' energy: -104.665
flat angles C4'-P-C4' energy: -99.595
flat angles P-C4'-P energy: -67.383
tors. eta vs tors. theta energy: -117.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1374.613593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.613593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.613593 (E_RNA)
where:
Base-Base interactions energy: -934.605
where: short stacking energy: -415.634
Base-Backbone interact. energy: 2.915
local terms energy: -442.923350
where:
bonds (distance) C4'-P energy: -85.793
bonds (distance) P-C4' energy: -78.794
flat angles C4'-P-C4' energy: -107.755
flat angles P-C4'-P energy: -69.999
tors. eta vs tors. theta energy: -100.583
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1041.081163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.081163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.081163 (E_RNA)
where:
Base-Base interactions energy: -664.564
where: short stacking energy: -305.353
Base-Backbone interact. energy: 1.253
local terms energy: -377.770634
where:
bonds (distance) C4'-P energy: -79.006
bonds (distance) P-C4' energy: -86.286
flat angles C4'-P-C4' energy: -85.585
flat angles P-C4'-P energy: -57.150
tors. eta vs tors. theta energy: -69.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -989.456684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.456684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.456684 (E_RNA)
where:
Base-Base interactions energy: -629.672
where: short stacking energy: -283.072
Base-Backbone interact. energy: -1.143
local terms energy: -358.642043
where:
bonds (distance) C4'-P energy: -71.032
bonds (distance) P-C4' energy: -89.566
flat angles C4'-P-C4' energy: -92.669
flat angles P-C4'-P energy: -47.952
tors. eta vs tors. theta energy: -57.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -431.012613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.012613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.012613 (E_RNA)
where:
Base-Base interactions energy: -157.331
where: short stacking energy: -139.124
Base-Backbone interact. energy: 1.347
local terms energy: -275.028787
where:
bonds (distance) C4'-P energy: -91.847
bonds (distance) P-C4' energy: -78.946
flat angles C4'-P-C4' energy: -72.905
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: 19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1898.226502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.226502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.226502 (E_RNA)
where:
Base-Base interactions energy: -1294.258
where: short stacking energy: -550.903
Base-Backbone interact. energy: 3.238
local terms energy: -607.205838
where:
bonds (distance) C4'-P energy: -116.250
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -124.802
flat angles P-C4'-P energy: -82.257
tors. eta vs tors. theta energy: -166.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1838.653045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.653045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.653045 (E_RNA)
where:
Base-Base interactions energy: -1243.198
where: short stacking energy: -560.137
Base-Backbone interact. energy: -1.645
local terms energy: -593.810082
where:
bonds (distance) C4'-P energy: -108.732
bonds (distance) P-C4' energy: -106.670
flat angles C4'-P-C4' energy: -118.802
flat angles P-C4'-P energy: -87.710
tors. eta vs tors. theta energy: -171.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1790.961770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.961770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.961770 (E_RNA)
where:
Base-Base interactions energy: -1208.173
where: short stacking energy: -543.364
Base-Backbone interact. energy: 0.707
local terms energy: -583.494885
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -108.666
flat angles C4'-P-C4' energy: -121.200
flat angles P-C4'-P energy: -80.713
tors. eta vs tors. theta energy: -164.707
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1706.826616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.826616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.826616 (E_RNA)
where:
Base-Base interactions energy: -1175.960
where: short stacking energy: -506.768
Base-Backbone interact. energy: -1.332
local terms energy: -529.535311
where:
bonds (distance) C4'-P energy: -88.565
bonds (distance) P-C4' energy: -103.735
flat angles C4'-P-C4' energy: -120.407
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -144.435
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: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1665.097201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.097201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.097201 (E_RNA)
where:
Base-Base interactions energy: -1144.523
where: short stacking energy: -478.753
Base-Backbone interact. energy: -0.511
local terms energy: -520.064048
where:
bonds (distance) C4'-P energy: -82.909
bonds (distance) P-C4' energy: -105.287
flat angles C4'-P-C4' energy: -120.225
flat angles P-C4'-P energy: -75.457
tors. eta vs tors. theta energy: -136.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1585.327814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.327814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.327814 (E_RNA)
where:
Base-Base interactions energy: -1101.355
where: short stacking energy: -476.420
Base-Backbone interact. energy: -2.346
local terms energy: -481.626415
where:
bonds (distance) C4'-P energy: -77.048
bonds (distance) P-C4' energy: -88.452
flat angles C4'-P-C4' energy: -115.494
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: -146.580
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1404.106785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.106785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.106785 (E_RNA)
where:
Base-Base interactions energy: -936.656
where: short stacking energy: -422.058
Base-Backbone interact. energy: -0.820
local terms energy: -466.630722
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -86.909
flat angles C4'-P-C4' energy: -106.312
flat angles P-C4'-P energy: -64.222
tors. eta vs tors. theta energy: -120.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1078.261169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.261169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.261169 (E_RNA)
where:
Base-Base interactions energy: -654.555
where: short stacking energy: -285.856
Base-Backbone interact. energy: -0.943
local terms energy: -422.763057
where:
bonds (distance) C4'-P energy: -99.921
bonds (distance) P-C4' energy: -106.410
flat angles C4'-P-C4' energy: -76.552
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -73.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -996.264133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.264133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.264133 (E_RNA)
where:
Base-Base interactions energy: -613.343
where: short stacking energy: -269.401
Base-Backbone interact. energy: 2.197
local terms energy: -385.118275
where:
bonds (distance) C4'-P energy: -94.297
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -102.780
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -420.796137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.796137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.796137 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -131.300
Base-Backbone interact. energy: 2.028
local terms energy: -269.418500
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -97.771
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: 18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1910.133017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.133017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.133017 (E_RNA)
where:
Base-Base interactions energy: -1303.574
where: short stacking energy: -560.264
Base-Backbone interact. energy: -4.664
local terms energy: -601.895064
where:
bonds (distance) C4'-P energy: -105.228
bonds (distance) P-C4' energy: -115.443
flat angles C4'-P-C4' energy: -122.314
flat angles P-C4'-P energy: -83.926
tors. eta vs tors. theta energy: -174.985
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: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1820.930056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.930056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.930056 (E_RNA)
where:
Base-Base interactions energy: -1216.007
where: short stacking energy: -550.528
Base-Backbone interact. energy: -3.016
local terms energy: -601.907389
where:
bonds (distance) C4'-P energy: -103.810
bonds (distance) P-C4' energy: -108.405
flat angles C4'-P-C4' energy: -125.151
flat angles P-C4'-P energy: -101.912
tors. eta vs tors. theta energy: -162.630
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1752.392427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.392427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.392427 (E_RNA)
where:
Base-Base interactions energy: -1202.723
where: short stacking energy: -531.806
Base-Backbone interact. energy: 2.433
local terms energy: -552.102504
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -96.413
flat angles C4'-P-C4' energy: -112.142
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -162.445
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: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1706.725747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.725747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.725747 (E_RNA)
where:
Base-Base interactions energy: -1184.314
where: short stacking energy: -501.557
Base-Backbone interact. energy: -0.592
local terms energy: -521.819448
where:
bonds (distance) C4'-P energy: -94.768
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -126.057
flat angles P-C4'-P energy: -76.067
tors. eta vs tors. theta energy: -148.481
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: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1619.564159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.564159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.564159 (E_RNA)
where:
Base-Base interactions energy: -1136.224
where: short stacking energy: -504.705
Base-Backbone interact. energy: 1.776
local terms energy: -485.116658
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -94.914
flat angles C4'-P-C4' energy: -101.007
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -143.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1563.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.963824 (E_RNA)
where:
Base-Base interactions energy: -1060.257
where: short stacking energy: -443.474
Base-Backbone interact. energy: -0.014
local terms energy: -503.693144
where:
bonds (distance) C4'-P energy: -103.726
bonds (distance) P-C4' energy: -97.103
flat angles C4'-P-C4' energy: -102.986
flat angles P-C4'-P energy: -69.610
tors. eta vs tors. theta energy: -130.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1424.441216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.441216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.441216 (E_RNA)
where:
Base-Base interactions energy: -940.990
where: short stacking energy: -410.948
Base-Backbone interact. energy: -2.639
local terms energy: -480.812417
where:
bonds (distance) C4'-P energy: -85.400
bonds (distance) P-C4' energy: -108.785
flat angles C4'-P-C4' energy: -99.393
flat angles P-C4'-P energy: -76.390
tors. eta vs tors. theta energy: -110.844
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1092.340559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.340559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.340559 (E_RNA)
where:
Base-Base interactions energy: -691.821
where: short stacking energy: -321.986
Base-Backbone interact. energy: 0.573
local terms energy: -401.092554
where:
bonds (distance) C4'-P energy: -93.302
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -88.779
flat angles P-C4'-P energy: -64.009
tors. eta vs tors. theta energy: -59.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1013.553125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.553125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.553125 (E_RNA)
where:
Base-Base interactions energy: -645.250
where: short stacking energy: -290.990
Base-Backbone interact. energy: 0.079
local terms energy: -368.381662
where:
bonds (distance) C4'-P energy: -84.655
bonds (distance) P-C4' energy: -81.710
flat angles C4'-P-C4' energy: -99.191
flat angles P-C4'-P energy: -56.491
tors. eta vs tors. theta energy: -46.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -476.847275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.847275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.847275 (E_RNA)
where:
Base-Base interactions energy: -202.177
where: short stacking energy: -138.159
Base-Backbone interact. energy: 0.266
local terms energy: -274.936579
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -93.093
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: 12.675
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1909.180382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.180382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.180382 (E_RNA)
where:
Base-Base interactions energy: -1304.977
where: short stacking energy: -575.734
Base-Backbone interact. energy: -4.165
local terms energy: -600.039120
where:
bonds (distance) C4'-P energy: -107.207
bonds (distance) P-C4' energy: -110.306
flat angles C4'-P-C4' energy: -118.012
flat angles P-C4'-P energy: -90.634
tors. eta vs tors. theta energy: -173.880
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: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1809.878893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.878893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.878893 (E_RNA)
where:
Base-Base interactions energy: -1221.546
where: short stacking energy: -546.644
Base-Backbone interact. energy: -2.939
local terms energy: -585.393788
where:
bonds (distance) C4'-P energy: -110.486
bonds (distance) P-C4' energy: -108.489
flat angles C4'-P-C4' energy: -123.087
flat angles P-C4'-P energy: -80.698
tors. eta vs tors. theta energy: -162.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1708.273851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.273851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.273851 (E_RNA)
where:
Base-Base interactions energy: -1160.218
where: short stacking energy: -525.697
Base-Backbone interact. energy: -1.309
local terms energy: -546.747653
where:
bonds (distance) C4'-P energy: -106.332
bonds (distance) P-C4' energy: -107.731
flat angles C4'-P-C4' energy: -107.770
flat angles P-C4'-P energy: -76.394
tors. eta vs tors. theta energy: -148.521
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1689.350255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.350255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.350255 (E_RNA)
where:
Base-Base interactions energy: -1182.738
where: short stacking energy: -515.068
Base-Backbone interact. energy: -2.323
local terms energy: -504.289363
where:
bonds (distance) C4'-P energy: -86.170
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -114.381
flat angles P-C4'-P energy: -67.340
tors. eta vs tors. theta energy: -141.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1664.141651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.141651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.141651 (E_RNA)
where:
Base-Base interactions energy: -1136.167
where: short stacking energy: -474.586
Base-Backbone interact. energy: -1.158
local terms energy: -526.816553
where:
bonds (distance) C4'-P energy: -97.703
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -121.214
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -141.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1589.951758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.951758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.951758 (E_RNA)
where:
Base-Base interactions energy: -1094.389
where: short stacking energy: -480.721
Base-Backbone interact. energy: 0.595
local terms energy: -496.158156
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -108.831
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -141.062
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1408.852194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.852194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.852194 (E_RNA)
where:
Base-Base interactions energy: -936.783
where: short stacking energy: -415.619
Base-Backbone interact. energy: -0.274
local terms energy: -471.794341
where:
bonds (distance) C4'-P energy: -84.739
bonds (distance) P-C4' energy: -104.977
flat angles C4'-P-C4' energy: -107.257
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -111.765
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: 363
Temperature: 1.250000
Total energy: -1065.858527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.858527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.858527 (E_RNA)
where:
Base-Base interactions energy: -672.767
where: short stacking energy: -322.035
Base-Backbone interact. energy: -0.350
local terms energy: -392.742429
where:
bonds (distance) C4'-P energy: -90.872
bonds (distance) P-C4' energy: -89.900
flat angles C4'-P-C4' energy: -91.863
flat angles P-C4'-P energy: -50.464
tors. eta vs tors. theta energy: -69.643
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -986.167959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.167959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.167959 (E_RNA)
where:
Base-Base interactions energy: -610.603
where: short stacking energy: -279.001
Base-Backbone interact. energy: -0.485
local terms energy: -375.080193
where:
bonds (distance) C4'-P energy: -86.366
bonds (distance) P-C4' energy: -89.376
flat angles C4'-P-C4' energy: -98.951
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -50.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -435.382740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.382740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.382740 (E_RNA)
where:
Base-Base interactions energy: -160.092
where: short stacking energy: -136.363
Base-Backbone interact. energy: 1.888
local terms energy: -277.179580
where:
bonds (distance) C4'-P energy: -79.132
bonds (distance) P-C4' energy: -78.084
flat angles C4'-P-C4' energy: -92.192
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: 13.427
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1911.715286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.715286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.715286 (E_RNA)
where:
Base-Base interactions energy: -1299.157
where: short stacking energy: -574.266
Base-Backbone interact. energy: -3.140
local terms energy: -609.417986
where:
bonds (distance) C4'-P energy: -112.562
bonds (distance) P-C4' energy: -110.624
flat angles C4'-P-C4' energy: -132.143
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -171.268
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: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1774.199330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.199330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.199330 (E_RNA)
where:
Base-Base interactions energy: -1210.078
where: short stacking energy: -535.823
Base-Backbone interact. energy: -0.327
local terms energy: -563.794724
where:
bonds (distance) C4'-P energy: -108.094
bonds (distance) P-C4' energy: -97.166
flat angles C4'-P-C4' energy: -123.885
flat angles P-C4'-P energy: -81.652
tors. eta vs tors. theta energy: -152.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1743.594141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.594141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.594141 (E_RNA)
where:
Base-Base interactions energy: -1173.136
where: short stacking energy: -510.170
Base-Backbone interact. energy: -0.503
local terms energy: -569.954899
where:
bonds (distance) C4'-P energy: -111.792
bonds (distance) P-C4' energy: -104.146
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -83.688
tors. eta vs tors. theta energy: -155.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1710.300356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.300356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.300356 (E_RNA)
where:
Base-Base interactions energy: -1173.400
where: short stacking energy: -509.740
Base-Backbone interact. energy: 0.989
local terms energy: -537.888916
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -94.814
flat angles C4'-P-C4' energy: -111.099
flat angles P-C4'-P energy: -88.054
tors. eta vs tors. theta energy: -140.335
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: 364
Temperature: 1.100000
Total energy: -1612.232171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.232171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.232171 (E_RNA)
where:
Base-Base interactions energy: -1105.037
where: short stacking energy: -470.824
Base-Backbone interact. energy: -1.886
local terms energy: -505.308668
where:
bonds (distance) C4'-P energy: -91.360
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -107.515
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: -132.652
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: 364
Temperature: 1.150000
Total energy: -1603.634008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.634008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.634008 (E_RNA)
where:
Base-Base interactions energy: -1094.623
where: short stacking energy: -470.274
Base-Backbone interact. energy: -1.875
local terms energy: -507.135737
where:
bonds (distance) C4'-P energy: -85.691
bonds (distance) P-C4' energy: -99.623
flat angles C4'-P-C4' energy: -110.182
flat angles P-C4'-P energy: -62.539
tors. eta vs tors. theta energy: -149.102
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: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1392.361588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.361588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.361588 (E_RNA)
where:
Base-Base interactions energy: -913.745
where: short stacking energy: -409.129
Base-Backbone interact. energy: -1.939
local terms energy: -476.678033
where:
bonds (distance) C4'-P energy: -89.531
bonds (distance) P-C4' energy: -94.173
flat angles C4'-P-C4' energy: -107.137
flat angles P-C4'-P energy: -83.474
tors. eta vs tors. theta energy: -102.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1127.055631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.055631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.055631 (E_RNA)
where:
Base-Base interactions energy: -758.665
where: short stacking energy: -335.055
Base-Backbone interact. energy: 1.407
local terms energy: -369.798514
where:
bonds (distance) C4'-P energy: -78.598
bonds (distance) P-C4' energy: -88.229
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -62.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1039.093721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.093721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.093721 (E_RNA)
where:
Base-Base interactions energy: -643.338
where: short stacking energy: -294.593
Base-Backbone interact. energy: 1.342
local terms energy: -397.096910
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -93.562
flat angles C4'-P-C4' energy: -90.106
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -70.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -462.728582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.728582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.728582 (E_RNA)
where:
Base-Base interactions energy: -170.087
where: short stacking energy: -131.031
Base-Backbone interact. energy: 6.196
local terms energy: -298.837595
where:
bonds (distance) C4'-P energy: -77.123
bonds (distance) P-C4' energy: -109.050
flat angles C4'-P-C4' energy: -80.801
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: 7.544
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: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1926.952281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.952281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.952281 (E_RNA)
where:
Base-Base interactions energy: -1314.690
where: short stacking energy: -594.842
Base-Backbone interact. energy: -1.696
local terms energy: -610.565704
where:
bonds (distance) C4'-P energy: -117.068
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -124.110
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -172.499
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: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1795.887256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.887256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.887256 (E_RNA)
where:
Base-Base interactions energy: -1216.062
where: short stacking energy: -565.911
Base-Backbone interact. energy: -1.245
local terms energy: -578.580650
where:
bonds (distance) C4'-P energy: -94.964
bonds (distance) P-C4' energy: -104.464
flat angles C4'-P-C4' energy: -122.327
flat angles P-C4'-P energy: -91.431
tors. eta vs tors. theta energy: -165.396
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: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1760.491736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.491736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.491736 (E_RNA)
where:
Base-Base interactions energy: -1209.961
where: short stacking energy: -526.036
Base-Backbone interact. energy: -2.192
local terms energy: -548.338901
where:
bonds (distance) C4'-P energy: -112.226
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -108.796
flat angles P-C4'-P energy: -75.487
tors. eta vs tors. theta energy: -155.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1737.569465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.569465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.569465 (E_RNA)
where:
Base-Base interactions energy: -1190.139
where: short stacking energy: -523.672
Base-Backbone interact. energy: 1.867
local terms energy: -549.296845
where:
bonds (distance) C4'-P energy: -94.820
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -119.918
flat angles P-C4'-P energy: -66.384
tors. eta vs tors. theta energy: -153.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1635.677390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.677390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.677390 (E_RNA)
where:
Base-Base interactions energy: -1124.831
where: short stacking energy: -474.386
Base-Backbone interact. energy: -4.095
local terms energy: -506.751289
where:
bonds (distance) C4'-P energy: -102.368
bonds (distance) P-C4' energy: -101.025
flat angles C4'-P-C4' energy: -108.027
flat angles P-C4'-P energy: -66.340
tors. eta vs tors. theta energy: -128.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1602.892165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.892165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.892165 (E_RNA)
where:
Base-Base interactions energy: -1124.109
where: short stacking energy: -487.034
Base-Backbone interact. energy: 2.679
local terms energy: -481.462591
where:
bonds (distance) C4'-P energy: -101.267
bonds (distance) P-C4' energy: -71.885
flat angles C4'-P-C4' energy: -101.342
flat angles P-C4'-P energy: -55.708
tors. eta vs tors. theta energy: -151.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1340.329654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.329654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.329654 (E_RNA)
where:
Base-Base interactions energy: -882.245
where: short stacking energy: -374.486
Base-Backbone interact. energy: -1.227
local terms energy: -456.857579
where:
bonds (distance) C4'-P energy: -89.783
bonds (distance) P-C4' energy: -100.932
flat angles C4'-P-C4' energy: -102.759
flat angles P-C4'-P energy: -67.332
tors. eta vs tors. theta energy: -96.052
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: 365
Temperature: 1.250000
Total energy: -1116.990875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.990875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.990875 (E_RNA)
where:
Base-Base interactions energy: -744.865
where: short stacking energy: -335.203
Base-Backbone interact. energy: 6.409
local terms energy: -378.535314
where:
bonds (distance) C4'-P energy: -81.410
bonds (distance) P-C4' energy: -91.285
flat angles C4'-P-C4' energy: -97.064
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -70.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1015.278085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.278085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.278085 (E_RNA)
where:
Base-Base interactions energy: -632.726
where: short stacking energy: -287.509
Base-Backbone interact. energy: 0.178
local terms energy: -382.730628
where:
bonds (distance) C4'-P energy: -93.014
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -76.358
flat angles P-C4'-P energy: -67.406
tors. eta vs tors. theta energy: -76.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -467.989149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.989149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.989149 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -126.085
Base-Backbone interact. energy: 0.550
local terms energy: -318.559775
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -74.437
flat angles P-C4'-P energy: -44.618
tors. eta vs tors. theta energy: -0.201
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: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1830.374303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.374303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.374303 (E_RNA)
where:
Base-Base interactions energy: -1227.998
where: short stacking energy: -565.277
Base-Backbone interact. energy: -2.454
local terms energy: -599.921531
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -117.416
flat angles C4'-P-C4' energy: -123.680
flat angles P-C4'-P energy: -85.309
tors. eta vs tors. theta energy: -167.150
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: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1885.588612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.588612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.588612 (E_RNA)
where:
Base-Base interactions energy: -1317.476
where: short stacking energy: -567.324
Base-Backbone interact. energy: -1.274
local terms energy: -566.838280
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -94.528
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -80.072
tors. eta vs tors. theta energy: -173.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1761.537863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.537863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.537863 (E_RNA)
where:
Base-Base interactions energy: -1206.266
where: short stacking energy: -542.692
Base-Backbone interact. energy: -0.608
local terms energy: -554.663078
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -112.837
flat angles P-C4'-P energy: -84.378
tors. eta vs tors. theta energy: -164.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1696.291408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.291408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.291408 (E_RNA)
where:
Base-Base interactions energy: -1166.057
where: short stacking energy: -513.807
Base-Backbone interact. energy: -0.672
local terms energy: -529.562908
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -97.208
flat angles C4'-P-C4' energy: -112.008
flat angles P-C4'-P energy: -73.335
tors. eta vs tors. theta energy: -142.783
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: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1634.026339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.026339 (E_RNA)
where:
Base-Base interactions energy: -1115.914
where: short stacking energy: -483.799
Base-Backbone interact. energy: -1.214
local terms energy: -516.898219
where:
bonds (distance) C4'-P energy: -94.439
bonds (distance) P-C4' energy: -94.639
flat angles C4'-P-C4' energy: -119.751
flat angles P-C4'-P energy: -70.491
tors. eta vs tors. theta energy: -137.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1555.471089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.471089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.471089 (E_RNA)
where:
Base-Base interactions energy: -1043.238
where: short stacking energy: -479.415
Base-Backbone interact. energy: 1.780
local terms energy: -514.012637
where:
bonds (distance) C4'-P energy: -102.014
bonds (distance) P-C4' energy: -99.693
flat angles C4'-P-C4' energy: -103.397
flat angles P-C4'-P energy: -65.961
tors. eta vs tors. theta energy: -142.947
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: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1384.448122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.448122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.448122 (E_RNA)
where:
Base-Base interactions energy: -931.526
where: short stacking energy: -391.302
Base-Backbone interact. energy: -1.290
local terms energy: -451.632221
where:
bonds (distance) C4'-P energy: -86.540
bonds (distance) P-C4' energy: -92.227
flat angles C4'-P-C4' energy: -108.319
flat angles P-C4'-P energy: -60.779
tors. eta vs tors. theta energy: -103.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1059.723086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.723086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.723086 (E_RNA)
where:
Base-Base interactions energy: -698.701
where: short stacking energy: -311.470
Base-Backbone interact. energy: 1.439
local terms energy: -362.460853
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -83.385
flat angles P-C4'-P energy: -62.855
tors. eta vs tors. theta energy: -55.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -989.295946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.295946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.295946 (E_RNA)
where:
Base-Base interactions energy: -624.007
where: short stacking energy: -278.723
Base-Backbone interact. energy: 4.206
local terms energy: -369.494225
where:
bonds (distance) C4'-P energy: -104.462
bonds (distance) P-C4' energy: -80.224
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: -49.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -476.949116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.949116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.949116 (E_RNA)
where:
Base-Base interactions energy: -221.580
where: short stacking energy: -118.944
Base-Backbone interact. energy: 7.341
local terms energy: -262.710309
where:
bonds (distance) C4'-P energy: -91.993
bonds (distance) P-C4' energy: -93.742
flat angles C4'-P-C4' energy: -65.758
flat angles P-C4'-P energy: -32.667
tors. eta vs tors. theta energy: 21.450
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: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1816.754759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.754759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.754759 (E_RNA)
where:
Base-Base interactions energy: -1226.335
where: short stacking energy: -554.107
Base-Backbone interact. energy: -1.428
local terms energy: -588.991774
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -110.293
flat angles C4'-P-C4' energy: -118.276
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -165.388
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1868.606955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.606955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.606955 (E_RNA)
where:
Base-Base interactions energy: -1292.264
where: short stacking energy: -551.907
Base-Backbone interact. energy: -4.835
local terms energy: -571.507625
where:
bonds (distance) C4'-P energy: -87.559
bonds (distance) P-C4' energy: -102.743
flat angles C4'-P-C4' energy: -128.921
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -164.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1746.194286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.194286 (E_RNA)
where:
Base-Base interactions energy: -1209.443
where: short stacking energy: -528.698
Base-Backbone interact. energy: -1.555
local terms energy: -535.195934
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -89.218
flat angles C4'-P-C4' energy: -114.185
flat angles P-C4'-P energy: -79.900
tors. eta vs tors. theta energy: -144.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1699.452250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.452250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.452250 (E_RNA)
where:
Base-Base interactions energy: -1153.547
where: short stacking energy: -498.432
Base-Backbone interact. energy: -2.208
local terms energy: -543.696805
where:
bonds (distance) C4'-P energy: -98.509
bonds (distance) P-C4' energy: -108.368
flat angles C4'-P-C4' energy: -110.452
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -147.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1661.739451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.739451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.739451 (E_RNA)
where:
Base-Base interactions energy: -1142.498
where: short stacking energy: -514.584
Base-Backbone interact. energy: 2.254
local terms energy: -521.495173
where:
bonds (distance) C4'-P energy: -86.518
bonds (distance) P-C4' energy: -96.084
flat angles C4'-P-C4' energy: -109.204
flat angles P-C4'-P energy: -64.301
tors. eta vs tors. theta energy: -165.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1575.237949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.237949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.237949 (E_RNA)
where:
Base-Base interactions energy: -1070.709
where: short stacking energy: -453.345
Base-Backbone interact. energy: -2.132
local terms energy: -502.396428
where:
bonds (distance) C4'-P energy: -85.430
bonds (distance) P-C4' energy: -92.151
flat angles C4'-P-C4' energy: -113.649
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -136.053
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: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1386.673335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.673335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.673335 (E_RNA)
where:
Base-Base interactions energy: -934.714
where: short stacking energy: -397.781
Base-Backbone interact. energy: 1.375
local terms energy: -453.334378
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -88.701
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -106.049
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1057.178129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.178129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.178129 (E_RNA)
where:
Base-Base interactions energy: -667.828
where: short stacking energy: -308.344
Base-Backbone interact. energy: -0.946
local terms energy: -388.404198
where:
bonds (distance) C4'-P energy: -88.527
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -85.552
flat angles P-C4'-P energy: -62.890
tors. eta vs tors. theta energy: -66.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1031.776384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.776384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.776384 (E_RNA)
where:
Base-Base interactions energy: -676.832
where: short stacking energy: -294.078
Base-Backbone interact. energy: 0.894
local terms energy: -355.838028
where:
bonds (distance) C4'-P energy: -73.786
bonds (distance) P-C4' energy: -102.195
flat angles C4'-P-C4' energy: -77.607
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -55.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -489.280285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.280285 (E_RNA)
where:
Base-Base interactions energy: -201.789
where: short stacking energy: -133.469
Base-Backbone interact. energy: 1.422
local terms energy: -288.913229
where:
bonds (distance) C4'-P energy: -98.935
bonds (distance) P-C4' energy: -105.499
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: 18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1909.469963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.469963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.469963 (E_RNA)
where:
Base-Base interactions energy: -1318.803
where: short stacking energy: -566.067
Base-Backbone interact. energy: -1.872
local terms energy: -588.794590
where:
bonds (distance) C4'-P energy: -102.804
bonds (distance) P-C4' energy: -103.526
flat angles C4'-P-C4' energy: -128.572
flat angles P-C4'-P energy: -84.824
tors. eta vs tors. theta energy: -169.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1759.961540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.961540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.961540 (E_RNA)
where:
Base-Base interactions energy: -1187.387
where: short stacking energy: -519.354
Base-Backbone interact. energy: -1.432
local terms energy: -571.143058
where:
bonds (distance) C4'-P energy: -104.620
bonds (distance) P-C4' energy: -112.329
flat angles C4'-P-C4' energy: -122.450
flat angles P-C4'-P energy: -80.383
tors. eta vs tors. theta energy: -151.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1734.196811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.196811 (E_RNA)
where:
Base-Base interactions energy: -1184.682
where: short stacking energy: -513.779
Base-Backbone interact. energy: -1.380
local terms energy: -548.134710
where:
bonds (distance) C4'-P energy: -104.752
bonds (distance) P-C4' energy: -95.012
flat angles C4'-P-C4' energy: -113.800
flat angles P-C4'-P energy: -83.509
tors. eta vs tors. theta energy: -151.063
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: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1725.178976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.178976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.178976 (E_RNA)
where:
Base-Base interactions energy: -1181.001
where: short stacking energy: -529.463
Base-Backbone interact. energy: -2.542
local terms energy: -541.635627
where:
bonds (distance) C4'-P energy: -103.890
bonds (distance) P-C4' energy: -106.218
flat angles C4'-P-C4' energy: -106.984
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -148.757
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1641.451422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.451422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.451422 (E_RNA)
where:
Base-Base interactions energy: -1127.276
where: short stacking energy: -489.543
Base-Backbone interact. energy: -1.871
local terms energy: -512.303778
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -102.890
flat angles C4'-P-C4' energy: -107.960
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -146.621
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: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1574.815648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.815648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.815648 (E_RNA)
where:
Base-Base interactions energy: -1060.976
where: short stacking energy: -456.704
Base-Backbone interact. energy: -0.034
local terms energy: -513.805807
where:
bonds (distance) C4'-P energy: -95.949
bonds (distance) P-C4' energy: -101.052
flat angles C4'-P-C4' energy: -108.112
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -138.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1390.743918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.743918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.743918 (E_RNA)
where:
Base-Base interactions energy: -924.513
where: short stacking energy: -408.809
Base-Backbone interact. energy: -2.663
local terms energy: -463.567519
where:
bonds (distance) C4'-P energy: -93.160
bonds (distance) P-C4' energy: -90.990
flat angles C4'-P-C4' energy: -101.227
flat angles P-C4'-P energy: -68.252
tors. eta vs tors. theta energy: -109.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1054.091975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.091975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.091975 (E_RNA)
where:
Base-Base interactions energy: -672.697
where: short stacking energy: -306.878
Base-Backbone interact. energy: -0.786
local terms energy: -380.608524
where:
bonds (distance) C4'-P energy: -77.904
bonds (distance) P-C4' energy: -102.849
flat angles C4'-P-C4' energy: -97.234
flat angles P-C4'-P energy: -46.348
tors. eta vs tors. theta energy: -56.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1057.639196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.639196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.639196 (E_RNA)
where:
Base-Base interactions energy: -726.273
where: short stacking energy: -307.266
Base-Backbone interact. energy: -1.213
local terms energy: -330.152620
where:
bonds (distance) C4'-P energy: -69.820
bonds (distance) P-C4' energy: -76.594
flat angles C4'-P-C4' energy: -87.786
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -52.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -492.041636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.041636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.041636 (E_RNA)
where:
Base-Base interactions energy: -173.860
where: short stacking energy: -129.714
Base-Backbone interact. energy: 2.243
local terms energy: -320.424892
where:
bonds (distance) C4'-P energy: -96.814
bonds (distance) P-C4' energy: -104.854
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: 8.102
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: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1891.065028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.065028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.065028 (E_RNA)
where:
Base-Base interactions energy: -1305.413
where: short stacking energy: -560.702
Base-Backbone interact. energy: -1.288
local terms energy: -584.364303
where:
bonds (distance) C4'-P energy: -117.569
bonds (distance) P-C4' energy: -108.036
flat angles C4'-P-C4' energy: -119.048
flat angles P-C4'-P energy: -77.538
tors. eta vs tors. theta energy: -162.174
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: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1777.497144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.497144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.497144 (E_RNA)
where:
Base-Base interactions energy: -1196.995
where: short stacking energy: -538.559
Base-Backbone interact. energy: 0.990
local terms energy: -581.492208
where:
bonds (distance) C4'-P energy: -117.035
bonds (distance) P-C4' energy: -105.951
flat angles C4'-P-C4' energy: -119.137
flat angles P-C4'-P energy: -80.246
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1737.642759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.642759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.642759 (E_RNA)
where:
Base-Base interactions energy: -1192.424
where: short stacking energy: -532.191
Base-Backbone interact. energy: -1.749
local terms energy: -543.469469
where:
bonds (distance) C4'-P energy: -97.617
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -111.864
flat angles P-C4'-P energy: -85.657
tors. eta vs tors. theta energy: -146.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1714.817167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.817167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.817167 (E_RNA)
where:
Base-Base interactions energy: -1182.035
where: short stacking energy: -517.530
Base-Backbone interact. energy: 0.293
local terms energy: -533.074988
where:
bonds (distance) C4'-P energy: -104.280
bonds (distance) P-C4' energy: -93.864
flat angles C4'-P-C4' energy: -111.782
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -148.054
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: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1649.805118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.805118 (E_RNA)
where:
Base-Base interactions energy: -1123.220
where: short stacking energy: -497.644
Base-Backbone interact. energy: -2.872
local terms energy: -523.713653
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -102.704
flat angles C4'-P-C4' energy: -111.706
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -146.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1594.881850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.881850 (E_RNA)
where:
Base-Base interactions energy: -1080.033
where: short stacking energy: -457.750
Base-Backbone interact. energy: -1.592
local terms energy: -513.256658
where:
bonds (distance) C4'-P energy: -95.215
bonds (distance) P-C4' energy: -91.902
flat angles C4'-P-C4' energy: -109.708
flat angles P-C4'-P energy: -69.061
tors. eta vs tors. theta energy: -147.371
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: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1383.714800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.714800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.714800 (E_RNA)
where:
Base-Base interactions energy: -934.379
where: short stacking energy: -400.147
Base-Backbone interact. energy: -1.225
local terms energy: -448.109925
where:
bonds (distance) C4'-P energy: -81.778
bonds (distance) P-C4' energy: -80.378
flat angles C4'-P-C4' energy: -110.585
flat angles P-C4'-P energy: -76.017
tors. eta vs tors. theta energy: -99.351
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: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1079.641261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.641261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.641261 (E_RNA)
where:
Base-Base interactions energy: -703.315
where: short stacking energy: -320.966
Base-Backbone interact. energy: -0.700
local terms energy: -375.626228
where:
bonds (distance) C4'-P energy: -83.151
bonds (distance) P-C4' energy: -89.625
flat angles C4'-P-C4' energy: -84.264
flat angles P-C4'-P energy: -59.988
tors. eta vs tors. theta energy: -58.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1004.562624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.562624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.562624 (E_RNA)
where:
Base-Base interactions energy: -641.182
where: short stacking energy: -287.661
Base-Backbone interact. energy: -2.115
local terms energy: -361.265911
where:
bonds (distance) C4'-P energy: -92.799
bonds (distance) P-C4' energy: -79.111
flat angles C4'-P-C4' energy: -91.697
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -60.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -458.098762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.098762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.098762 (E_RNA)
where:
Base-Base interactions energy: -193.787
where: short stacking energy: -148.672
Base-Backbone interact. energy: 1.267
local terms energy: -265.578887
where:
bonds (distance) C4'-P energy: -92.713
bonds (distance) P-C4' energy: -86.363
flat angles C4'-P-C4' energy: -70.177
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: 11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1908.199830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.199830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.199830 (E_RNA)
where:
Base-Base interactions energy: -1319.466
where: short stacking energy: -564.788
Base-Backbone interact. energy: -1.601
local terms energy: -587.133020
where:
bonds (distance) C4'-P energy: -113.851
bonds (distance) P-C4' energy: -109.509
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -84.004
tors. eta vs tors. theta energy: -164.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1801.198731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.198731 (E_RNA)
where:
Base-Base interactions energy: -1196.308
where: short stacking energy: -547.754
Base-Backbone interact. energy: -1.429
local terms energy: -603.462006
where:
bonds (distance) C4'-P energy: -116.061
bonds (distance) P-C4' energy: -121.689
flat angles C4'-P-C4' energy: -117.916
flat angles P-C4'-P energy: -82.067
tors. eta vs tors. theta energy: -165.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1769.130153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.130153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.130153 (E_RNA)
where:
Base-Base interactions energy: -1221.807
where: short stacking energy: -540.413
Base-Backbone interact. energy: -1.186
local terms energy: -546.136593
where:
bonds (distance) C4'-P energy: -88.659
bonds (distance) P-C4' energy: -108.928
flat angles C4'-P-C4' energy: -122.672
flat angles P-C4'-P energy: -71.507
tors. eta vs tors. theta energy: -154.371
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: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1681.978454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.978454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.978454 (E_RNA)
where:
Base-Base interactions energy: -1166.813
where: short stacking energy: -505.119
Base-Backbone interact. energy: -0.892
local terms energy: -514.273319
where:
bonds (distance) C4'-P energy: -87.756
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -108.891
flat angles P-C4'-P energy: -76.526
tors. eta vs tors. theta energy: -146.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1625.674716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.674716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.674716 (E_RNA)
where:
Base-Base interactions energy: -1132.416
where: short stacking energy: -476.429
Base-Backbone interact. energy: 2.322
local terms energy: -495.580414
where:
bonds (distance) C4'-P energy: -87.605
bonds (distance) P-C4' energy: -98.394
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -140.870
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: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1576.901737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.901737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.901737 (E_RNA)
where:
Base-Base interactions energy: -1075.137
where: short stacking energy: -469.846
Base-Backbone interact. energy: 0.198
local terms energy: -501.962802
where:
bonds (distance) C4'-P energy: -96.626
bonds (distance) P-C4' energy: -93.852
flat angles C4'-P-C4' energy: -114.712
flat angles P-C4'-P energy: -76.499
tors. eta vs tors. theta energy: -120.274
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: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1381.358186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.358186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.358186 (E_RNA)
where:
Base-Base interactions energy: -920.062
where: short stacking energy: -377.607
Base-Backbone interact. energy: -1.398
local terms energy: -459.898000
where:
bonds (distance) C4'-P energy: -100.326
bonds (distance) P-C4' energy: -105.347
flat angles C4'-P-C4' energy: -100.180
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -83.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1080.434865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.434865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.434865 (E_RNA)
where:
Base-Base interactions energy: -713.367
where: short stacking energy: -292.754
Base-Backbone interact. energy: -0.088
local terms energy: -366.980063
where:
bonds (distance) C4'-P energy: -75.389
bonds (distance) P-C4' energy: -94.854
flat angles C4'-P-C4' energy: -98.001
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -55.488
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: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1045.087575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.087575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.087575 (E_RNA)
where:
Base-Base interactions energy: -676.817
where: short stacking energy: -289.741
Base-Backbone interact. energy: 3.798
local terms energy: -372.068626
where:
bonds (distance) C4'-P energy: -89.996
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -77.717
flat angles P-C4'-P energy: -51.998
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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -491.756136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.756136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.756136 (E_RNA)
where:
Base-Base interactions energy: -201.453
where: short stacking energy: -156.897
Base-Backbone interact. energy: -0.417
local terms energy: -289.886482
where:
bonds (distance) C4'-P energy: -82.702
bonds (distance) P-C4' energy: -95.470
flat angles C4'-P-C4' energy: -75.031
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: 7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1914.647456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.647456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.647456 (E_RNA)
where:
Base-Base interactions energy: -1331.744
where: short stacking energy: -571.588
Base-Backbone interact. energy: -1.608
local terms energy: -581.295995
where:
bonds (distance) C4'-P energy: -113.203
bonds (distance) P-C4' energy: -94.452
flat angles C4'-P-C4' energy: -127.493
flat angles P-C4'-P energy: -77.851
tors. eta vs tors. theta energy: -168.296
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1793.446266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.446266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.446266 (E_RNA)
where:
Base-Base interactions energy: -1234.260
where: short stacking energy: -527.787
Base-Backbone interact. energy: -3.623
local terms energy: -555.562975
where:
bonds (distance) C4'-P energy: -103.697
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -115.928
flat angles P-C4'-P energy: -91.777
tors. eta vs tors. theta energy: -139.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1763.161811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.161811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.161811 (E_RNA)
where:
Base-Base interactions energy: -1193.108
where: short stacking energy: -541.341
Base-Backbone interact. energy: -0.682
local terms energy: -569.371567
where:
bonds (distance) C4'-P energy: -104.011
bonds (distance) P-C4' energy: -106.815
flat angles C4'-P-C4' energy: -119.579
flat angles P-C4'-P energy: -84.591
tors. eta vs tors. theta energy: -154.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1685.567135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.567135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.567135 (E_RNA)
where:
Base-Base interactions energy: -1157.617
where: short stacking energy: -519.782
Base-Backbone interact. energy: 0.991
local terms energy: -528.940652
where:
bonds (distance) C4'-P energy: -92.083
bonds (distance) P-C4' energy: -103.743
flat angles C4'-P-C4' energy: -104.711
flat angles P-C4'-P energy: -77.874
tors. eta vs tors. theta energy: -150.529
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1576.941035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.941035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.941035 (E_RNA)
where:
Base-Base interactions energy: -1049.598
where: short stacking energy: -460.703
Base-Backbone interact. energy: -1.271
local terms energy: -526.072448
where:
bonds (distance) C4'-P energy: -101.738
bonds (distance) P-C4' energy: -95.180
flat angles C4'-P-C4' energy: -107.954
flat angles P-C4'-P energy: -85.274
tors. eta vs tors. theta energy: -135.927
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1576.804679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.804679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.804679 (E_RNA)
where:
Base-Base interactions energy: -1085.220
where: short stacking energy: -458.975
Base-Backbone interact. energy: 0.665
local terms energy: -492.248904
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -91.804
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -68.371
tors. eta vs tors. theta energy: -131.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1408.823635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.823635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.823635 (E_RNA)
where:
Base-Base interactions energy: -951.613
where: short stacking energy: -409.994
Base-Backbone interact. energy: -2.904
local terms energy: -454.306534
where:
bonds (distance) C4'-P energy: -94.230
bonds (distance) P-C4' energy: -88.035
flat angles C4'-P-C4' energy: -89.675
flat angles P-C4'-P energy: -68.993
tors. eta vs tors. theta energy: -113.373
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: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1101.398969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.398969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.398969 (E_RNA)
where:
Base-Base interactions energy: -706.022
where: short stacking energy: -326.547
Base-Backbone interact. energy: -0.026
local terms energy: -395.351483
where:
bonds (distance) C4'-P energy: -91.662
bonds (distance) P-C4' energy: -104.111
flat angles C4'-P-C4' energy: -90.285
flat angles P-C4'-P energy: -51.919
tors. eta vs tors. theta energy: -57.373
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: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -961.506236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.506236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.506236 (E_RNA)
where:
Base-Base interactions energy: -592.049
where: short stacking energy: -255.046
Base-Backbone interact. energy: -3.221
local terms energy: -366.235607
where:
bonds (distance) C4'-P energy: -100.587
bonds (distance) P-C4' energy: -91.051
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -52.712
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -504.630860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.630860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.630860 (E_RNA)
where:
Base-Base interactions energy: -203.406
where: short stacking energy: -123.792
Base-Backbone interact. energy: 1.740
local terms energy: -302.965693
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -78.275
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1906.394228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.394228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.394228 (E_RNA)
where:
Base-Base interactions energy: -1313.964
where: short stacking energy: -584.596
Base-Backbone interact. energy: 0.705
local terms energy: -593.135163
where:
bonds (distance) C4'-P energy: -102.226
bonds (distance) P-C4' energy: -110.596
flat angles C4'-P-C4' energy: -126.413
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -163.248
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: 372
Temperature: 0.950000
Total energy: -1851.872093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.872093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.872093 (E_RNA)
where:
Base-Base interactions energy: -1267.661
where: short stacking energy: -545.556
Base-Backbone interact. energy: -1.606
local terms energy: -582.605601
where:
bonds (distance) C4'-P energy: -105.503
bonds (distance) P-C4' energy: -114.960
flat angles C4'-P-C4' energy: -122.091
flat angles P-C4'-P energy: -77.748
tors. eta vs tors. theta energy: -162.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1717.765888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.765888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.765888 (E_RNA)
where:
Base-Base interactions energy: -1180.408
where: short stacking energy: -509.967
Base-Backbone interact. energy: -0.969
local terms energy: -536.389331
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -98.502
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -76.551
tors. eta vs tors. theta energy: -149.443
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: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1681.721751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.721751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.721751 (E_RNA)
where:
Base-Base interactions energy: -1126.252
where: short stacking energy: -506.456
Base-Backbone interact. energy: -1.739
local terms energy: -553.730814
where:
bonds (distance) C4'-P energy: -90.737
bonds (distance) P-C4' energy: -102.381
flat angles C4'-P-C4' energy: -130.166
flat angles P-C4'-P energy: -76.548
tors. eta vs tors. theta energy: -153.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1588.494067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.494067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.494067 (E_RNA)
where:
Base-Base interactions energy: -1093.521
where: short stacking energy: -469.244
Base-Backbone interact. energy: 0.186
local terms energy: -495.159238
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -91.892
flat angles C4'-P-C4' energy: -103.974
flat angles P-C4'-P energy: -73.787
tors. eta vs tors. theta energy: -137.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1555.428562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.428562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.428562 (E_RNA)
where:
Base-Base interactions energy: -1050.823
where: short stacking energy: -455.922
Base-Backbone interact. energy: 1.183
local terms energy: -505.788938
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -97.721
flat angles C4'-P-C4' energy: -102.626
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -131.147
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: 372
Temperature: 1.200000
Total energy: -1405.658434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.658434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.658434 (E_RNA)
where:
Base-Base interactions energy: -924.707
where: short stacking energy: -423.670
Base-Backbone interact. energy: -2.335
local terms energy: -478.616115
where:
bonds (distance) C4'-P energy: -82.708
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -107.578
flat angles P-C4'-P energy: -61.696
tors. eta vs tors. theta energy: -124.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1135.300119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.300119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.300119 (E_RNA)
where:
Base-Base interactions energy: -736.539
where: short stacking energy: -340.918
Base-Backbone interact. energy: -1.000
local terms energy: -397.761390
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -94.185
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -64.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -915.271639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.271639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.271639 (E_RNA)
where:
Base-Base interactions energy: -571.030
where: short stacking energy: -261.090
Base-Backbone interact. energy: 1.929
local terms energy: -346.170671
where:
bonds (distance) C4'-P energy: -72.979
bonds (distance) P-C4' energy: -88.097
flat angles C4'-P-C4' energy: -88.543
flat angles P-C4'-P energy: -56.326
tors. eta vs tors. theta energy: -40.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -499.545195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.545195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.545195 (E_RNA)
where:
Base-Base interactions energy: -218.263
where: short stacking energy: -141.713
Base-Backbone interact. energy: -0.741
local terms energy: -280.540876
where:
bonds (distance) C4'-P energy: -94.084
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -84.741
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: 17.768
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: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1894.405431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.405431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.405431 (E_RNA)
where:
Base-Base interactions energy: -1302.703
where: short stacking energy: -565.832
Base-Backbone interact. energy: -3.075
local terms energy: -588.627445
where:
bonds (distance) C4'-P energy: -114.521
bonds (distance) P-C4' energy: -100.026
flat angles C4'-P-C4' energy: -120.294
flat angles P-C4'-P energy: -83.996
tors. eta vs tors. theta energy: -169.790
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1833.343556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.343556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.343556 (E_RNA)
where:
Base-Base interactions energy: -1278.876
where: short stacking energy: -549.701
Base-Backbone interact. energy: 2.725
local terms energy: -557.192284
where:
bonds (distance) C4'-P energy: -91.273
bonds (distance) P-C4' energy: -96.688
flat angles C4'-P-C4' energy: -125.197
flat angles P-C4'-P energy: -92.811
tors. eta vs tors. theta energy: -151.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1752.799212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.799212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.799212 (E_RNA)
where:
Base-Base interactions energy: -1192.410
where: short stacking energy: -515.800
Base-Backbone interact. energy: -2.118
local terms energy: -558.271443
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -102.394
flat angles C4'-P-C4' energy: -117.883
flat angles P-C4'-P energy: -77.410
tors. eta vs tors. theta energy: -161.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1642.030840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.030840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.030840 (E_RNA)
where:
Base-Base interactions energy: -1123.334
where: short stacking energy: -492.753
Base-Backbone interact. energy: 0.141
local terms energy: -518.837401
where:
bonds (distance) C4'-P energy: -89.695
bonds (distance) P-C4' energy: -104.526
flat angles C4'-P-C4' energy: -117.059
flat angles P-C4'-P energy: -60.685
tors. eta vs tors. theta energy: -146.872
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: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1665.919977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.919977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.919977 (E_RNA)
where:
Base-Base interactions energy: -1163.460
where: short stacking energy: -499.020
Base-Backbone interact. energy: -0.824
local terms energy: -501.635590
where:
bonds (distance) C4'-P energy: -92.053
bonds (distance) P-C4' energy: -94.579
flat angles C4'-P-C4' energy: -106.139
flat angles P-C4'-P energy: -58.795
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: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1585.316390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.316390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.316390 (E_RNA)
where:
Base-Base interactions energy: -1091.765
where: short stacking energy: -472.758
Base-Backbone interact. energy: -0.254
local terms energy: -493.297276
where:
bonds (distance) C4'-P energy: -88.208
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -104.959
flat angles P-C4'-P energy: -73.252
tors. eta vs tors. theta energy: -131.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1382.087784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.087784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.087784 (E_RNA)
where:
Base-Base interactions energy: -934.046
where: short stacking energy: -411.975
Base-Backbone interact. energy: 0.038
local terms energy: -448.079243
where:
bonds (distance) C4'-P energy: -91.113
bonds (distance) P-C4' energy: -77.742
flat angles C4'-P-C4' energy: -99.524
flat angles P-C4'-P energy: -74.845
tors. eta vs tors. theta energy: -104.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1165.224804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.224804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.224804 (E_RNA)
where:
Base-Base interactions energy: -762.327
where: short stacking energy: -339.824
Base-Backbone interact. energy: -0.795
local terms energy: -402.102173
where:
bonds (distance) C4'-P energy: -81.237
bonds (distance) P-C4' energy: -91.883
flat angles C4'-P-C4' energy: -94.176
flat angles P-C4'-P energy: -50.549
tors. eta vs tors. theta energy: -84.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -950.643894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.643894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.643894 (E_RNA)
where:
Base-Base interactions energy: -584.055
where: short stacking energy: -262.096
Base-Backbone interact. energy: -0.525
local terms energy: -366.063909
where:
bonds (distance) C4'-P energy: -97.610
bonds (distance) P-C4' energy: -97.047
flat angles C4'-P-C4' energy: -69.828
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: -52.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -515.078160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.078160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.078160 (E_RNA)
where:
Base-Base interactions energy: -228.049
where: short stacking energy: -166.914
Base-Backbone interact. energy: 6.398
local terms energy: -293.427473
where:
bonds (distance) C4'-P energy: -73.678
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -77.858
flat angles P-C4'-P energy: -39.045
tors. eta vs tors. theta energy: -6.256
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: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1858.890912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.890912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.890912 (E_RNA)
where:
Base-Base interactions energy: -1281.578
where: short stacking energy: -566.051
Base-Backbone interact. energy: -2.088
local terms energy: -575.224652
where:
bonds (distance) C4'-P energy: -109.177
bonds (distance) P-C4' energy: -96.434
flat angles C4'-P-C4' energy: -116.671
flat angles P-C4'-P energy: -84.758
tors. eta vs tors. theta energy: -168.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1818.922839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.922839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.922839 (E_RNA)
where:
Base-Base interactions energy: -1262.360
where: short stacking energy: -548.109
Base-Backbone interact. energy: 1.640
local terms energy: -558.202984
where:
bonds (distance) C4'-P energy: -91.858
bonds (distance) P-C4' energy: -102.440
flat angles C4'-P-C4' energy: -119.293
flat angles P-C4'-P energy: -72.947
tors. eta vs tors. theta energy: -171.665
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: 374
Temperature: 1.000000
Total energy: -1760.533938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.533938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.533938 (E_RNA)
where:
Base-Base interactions energy: -1208.050
where: short stacking energy: -522.268
Base-Backbone interact. energy: -1.377
local terms energy: -551.106684
where:
bonds (distance) C4'-P energy: -91.588
bonds (distance) P-C4' energy: -103.822
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -82.030
tors. eta vs tors. theta energy: -157.138
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1650.259987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.259987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.259987 (E_RNA)
where:
Base-Base interactions energy: -1137.119
where: short stacking energy: -498.077
Base-Backbone interact. energy: 0.257
local terms energy: -513.398232
where:
bonds (distance) C4'-P energy: -100.113
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -108.496
flat angles P-C4'-P energy: -84.214
tors. eta vs tors. theta energy: -128.269
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: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1620.996887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.996887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.996887 (E_RNA)
where:
Base-Base interactions energy: -1092.953
where: short stacking energy: -476.338
Base-Backbone interact. energy: 1.166
local terms energy: -529.210139
where:
bonds (distance) C4'-P energy: -114.407
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -104.844
flat angles P-C4'-P energy: -81.049
tors. eta vs tors. theta energy: -135.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1559.694627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.694627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.694627 (E_RNA)
where:
Base-Base interactions energy: -1085.459
where: short stacking energy: -460.658
Base-Backbone interact. energy: -3.485
local terms energy: -470.750892
where:
bonds (distance) C4'-P energy: -79.415
bonds (distance) P-C4' energy: -96.701
flat angles C4'-P-C4' energy: -101.378
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -130.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1399.353122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.353122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.353122 (E_RNA)
where:
Base-Base interactions energy: -942.385
where: short stacking energy: -398.454
Base-Backbone interact. energy: -0.813
local terms energy: -456.155146
where:
bonds (distance) C4'-P energy: -97.929
bonds (distance) P-C4' energy: -93.218
flat angles C4'-P-C4' energy: -96.033
flat angles P-C4'-P energy: -65.854
tors. eta vs tors. theta energy: -103.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1128.963032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.963032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.963032 (E_RNA)
where:
Base-Base interactions energy: -713.984
where: short stacking energy: -335.662
Base-Backbone interact. energy: 0.496
local terms energy: -415.475168
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -103.174
flat angles C4'-P-C4' energy: -87.155
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -69.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -865.548863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.548863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.548863 (E_RNA)
where:
Base-Base interactions energy: -532.443
where: short stacking energy: -236.388
Base-Backbone interact. energy: -3.056
local terms energy: -330.049461
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -82.190
flat angles C4'-P-C4' energy: -90.815
flat angles P-C4'-P energy: -48.214
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -510.551007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.551007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.551007 (E_RNA)
where:
Base-Base interactions energy: -211.853
where: short stacking energy: -142.911
Base-Backbone interact. energy: -2.523
local terms energy: -296.175630
where:
bonds (distance) C4'-P energy: -90.676
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -81.247
flat angles P-C4'-P energy: -54.857
tors. eta vs tors. theta energy: 14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1883.843277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.843277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.843277 (E_RNA)
where:
Base-Base interactions energy: -1297.965
where: short stacking energy: -575.838
Base-Backbone interact. energy: -3.920
local terms energy: -581.957685
where:
bonds (distance) C4'-P energy: -109.643
bonds (distance) P-C4' energy: -104.909
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -87.137
tors. eta vs tors. theta energy: -160.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1835.837557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.837557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.837557 (E_RNA)
where:
Base-Base interactions energy: -1265.008
where: short stacking energy: -544.613
Base-Backbone interact. energy: -1.825
local terms energy: -569.004224
where:
bonds (distance) C4'-P energy: -104.619
bonds (distance) P-C4' energy: -107.408
flat angles C4'-P-C4' energy: -124.060
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -157.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1740.426082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.426082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.426082 (E_RNA)
where:
Base-Base interactions energy: -1178.461
where: short stacking energy: -530.234
Base-Backbone interact. energy: 2.869
local terms energy: -564.834621
where:
bonds (distance) C4'-P energy: -99.692
bonds (distance) P-C4' energy: -113.338
flat angles C4'-P-C4' energy: -114.313
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -157.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1658.572935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.572935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.572935 (E_RNA)
where:
Base-Base interactions energy: -1143.199
where: short stacking energy: -510.779
Base-Backbone interact. energy: -1.705
local terms energy: -513.669547
where:
bonds (distance) C4'-P energy: -88.926
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -107.458
flat angles P-C4'-P energy: -78.696
tors. eta vs tors. theta energy: -143.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1582.488489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.488489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.488489 (E_RNA)
where:
Base-Base interactions energy: -1076.767
where: short stacking energy: -495.174
Base-Backbone interact. energy: 6.987
local terms energy: -512.708187
where:
bonds (distance) C4'-P energy: -91.697
bonds (distance) P-C4' energy: -93.048
flat angles C4'-P-C4' energy: -107.616
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -143.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1557.270149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.270149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.270149 (E_RNA)
where:
Base-Base interactions energy: -1066.660
where: short stacking energy: -445.215
Base-Backbone interact. energy: 0.898
local terms energy: -491.508360
where:
bonds (distance) C4'-P energy: -82.401
bonds (distance) P-C4' energy: -108.718
flat angles C4'-P-C4' energy: -106.006
flat angles P-C4'-P energy: -59.455
tors. eta vs tors. theta energy: -134.928
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: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1417.475262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.475262 (E_RNA)
where:
Base-Base interactions energy: -935.743
where: short stacking energy: -394.942
Base-Backbone interact. energy: -0.215
local terms energy: -481.516626
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -95.906
flat angles C4'-P-C4' energy: -95.395
flat angles P-C4'-P energy: -79.306
tors. eta vs tors. theta energy: -109.978
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: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1170.933328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.933328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.933328 (E_RNA)
where:
Base-Base interactions energy: -758.648
where: short stacking energy: -340.875
Base-Backbone interact. energy: -1.639
local terms energy: -410.645821
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -91.548
flat angles C4'-P-C4' energy: -101.755
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -77.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -829.774550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.774550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.774550 (E_RNA)
where:
Base-Base interactions energy: -462.843
where: short stacking energy: -226.314
Base-Backbone interact. energy: 2.614
local terms energy: -369.546170
where:
bonds (distance) C4'-P energy: -97.048
bonds (distance) P-C4' energy: -96.601
flat angles C4'-P-C4' energy: -94.842
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: -39.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -511.110316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.110316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.110316 (E_RNA)
where:
Base-Base interactions energy: -213.742
where: short stacking energy: -135.443
Base-Backbone interact. energy: 0.829
local terms energy: -298.197112
where:
bonds (distance) C4'-P energy: -84.186
bonds (distance) P-C4' energy: -96.104
flat angles C4'-P-C4' energy: -72.450
flat angles P-C4'-P energy: -52.746
tors. eta vs tors. theta energy: 7.289
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1884.533095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.533095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.533095 (E_RNA)
where:
Base-Base interactions energy: -1331.130
where: short stacking energy: -594.267
Base-Backbone interact. energy: 0.016
local terms energy: -553.419968
where:
bonds (distance) C4'-P energy: -97.174
bonds (distance) P-C4' energy: -89.259
flat angles C4'-P-C4' energy: -118.498
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -168.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1819.498103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.498103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.498103 (E_RNA)
where:
Base-Base interactions energy: -1248.751
where: short stacking energy: -539.382
Base-Backbone interact. energy: -1.570
local terms energy: -569.177602
where:
bonds (distance) C4'-P energy: -102.902
bonds (distance) P-C4' energy: -101.363
flat angles C4'-P-C4' energy: -119.656
flat angles P-C4'-P energy: -84.893
tors. eta vs tors. theta energy: -160.363
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1768.296162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.296162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.296162 (E_RNA)
where:
Base-Base interactions energy: -1200.109
where: short stacking energy: -525.179
Base-Backbone interact. energy: -0.629
local terms energy: -567.557451
where:
bonds (distance) C4'-P energy: -106.352
bonds (distance) P-C4' energy: -113.317
flat angles C4'-P-C4' energy: -118.769
flat angles P-C4'-P energy: -76.047
tors. eta vs tors. theta energy: -153.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1648.501077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.501077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.501077 (E_RNA)
where:
Base-Base interactions energy: -1123.485
where: short stacking energy: -500.654
Base-Backbone interact. energy: -0.541
local terms energy: -524.475644
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -94.487
flat angles C4'-P-C4' energy: -113.198
flat angles P-C4'-P energy: -73.888
tors. eta vs tors. theta energy: -145.404
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: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1615.972640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.972640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.972640 (E_RNA)
where:
Base-Base interactions energy: -1129.689
where: short stacking energy: -468.907
Base-Backbone interact. energy: -0.899
local terms energy: -485.384417
where:
bonds (distance) C4'-P energy: -93.339
bonds (distance) P-C4' energy: -88.473
flat angles C4'-P-C4' energy: -110.656
flat angles P-C4'-P energy: -68.247
tors. eta vs tors. theta energy: -124.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1545.582469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.582469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.582469 (E_RNA)
where:
Base-Base interactions energy: -1046.656
where: short stacking energy: -449.903
Base-Backbone interact. energy: -1.773
local terms energy: -497.153465
where:
bonds (distance) C4'-P energy: -108.996
bonds (distance) P-C4' energy: -85.890
flat angles C4'-P-C4' energy: -93.353
flat angles P-C4'-P energy: -73.844
tors. eta vs tors. theta energy: -135.070
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1411.837106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.837106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.837106 (E_RNA)
where:
Base-Base interactions energy: -934.282
where: short stacking energy: -416.627
Base-Backbone interact. energy: 1.542
local terms energy: -479.096872
where:
bonds (distance) C4'-P energy: -83.307
bonds (distance) P-C4' energy: -95.360
flat angles C4'-P-C4' energy: -120.667
flat angles P-C4'-P energy: -61.441
tors. eta vs tors. theta energy: -118.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1169.065655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.065655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.065655 (E_RNA)
where:
Base-Base interactions energy: -758.550
where: short stacking energy: -328.387
Base-Backbone interact. energy: -0.463
local terms energy: -410.052725
where:
bonds (distance) C4'-P energy: -93.747
bonds (distance) P-C4' energy: -96.481
flat angles C4'-P-C4' energy: -91.629
flat angles P-C4'-P energy: -59.030
tors. eta vs tors. theta energy: -69.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -832.682662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.682662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.682662 (E_RNA)
where:
Base-Base interactions energy: -522.608
where: short stacking energy: -259.043
Base-Backbone interact. energy: 1.411
local terms energy: -311.485693
where:
bonds (distance) C4'-P energy: -65.546
bonds (distance) P-C4' energy: -110.310
flat angles C4'-P-C4' energy: -71.368
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -23.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -487.973815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.973815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.973815 (E_RNA)
where:
Base-Base interactions energy: -207.141
where: short stacking energy: -143.276
Base-Backbone interact. energy: 1.345
local terms energy: -282.178136
where:
bonds (distance) C4'-P energy: -81.040
bonds (distance) P-C4' energy: -99.723
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: 14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1900.042167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.042167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.042167 (E_RNA)
where:
Base-Base interactions energy: -1291.387
where: short stacking energy: -569.034
Base-Backbone interact. energy: -1.328
local terms energy: -607.326955
where:
bonds (distance) C4'-P energy: -115.138
bonds (distance) P-C4' energy: -112.610
flat angles C4'-P-C4' energy: -123.677
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -170.855
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: 377
Temperature: 0.950000
Total energy: -1787.014506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.014506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.014506 (E_RNA)
where:
Base-Base interactions energy: -1224.479
where: short stacking energy: -528.297
Base-Backbone interact. energy: -0.542
local terms energy: -561.993435
where:
bonds (distance) C4'-P energy: -101.856
bonds (distance) P-C4' energy: -98.324
flat angles C4'-P-C4' energy: -119.931
flat angles P-C4'-P energy: -85.964
tors. eta vs tors. theta energy: -155.919
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: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1750.432588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.432588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.432588 (E_RNA)
where:
Base-Base interactions energy: -1197.988
where: short stacking energy: -527.232
Base-Backbone interact. energy: -5.644
local terms energy: -546.800044
where:
bonds (distance) C4'-P energy: -101.806
bonds (distance) P-C4' energy: -97.835
flat angles C4'-P-C4' energy: -116.897
flat angles P-C4'-P energy: -80.651
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: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1698.172395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.172395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.172395 (E_RNA)
where:
Base-Base interactions energy: -1168.862
where: short stacking energy: -526.225
Base-Backbone interact. energy: -1.521
local terms energy: -527.789705
where:
bonds (distance) C4'-P energy: -104.118
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -108.129
flat angles P-C4'-P energy: -82.141
tors. eta vs tors. theta energy: -137.309
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: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1617.604122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.604122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.604122 (E_RNA)
where:
Base-Base interactions energy: -1110.321
where: short stacking energy: -476.586
Base-Backbone interact. energy: 0.870
local terms energy: -508.154067
where:
bonds (distance) C4'-P energy: -93.021
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -112.968
flat angles P-C4'-P energy: -67.692
tors. eta vs tors. theta energy: -130.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1528.222489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.222489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.222489 (E_RNA)
where:
Base-Base interactions energy: -1063.996
where: short stacking energy: -448.215
Base-Backbone interact. energy: -0.316
local terms energy: -463.910768
where:
bonds (distance) C4'-P energy: -88.729
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -89.283
flat angles P-C4'-P energy: -69.155
tors. eta vs tors. theta energy: -129.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1359.151233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.151233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.151233 (E_RNA)
where:
Base-Base interactions energy: -913.257
where: short stacking energy: -389.136
Base-Backbone interact. energy: 0.214
local terms energy: -446.108294
where:
bonds (distance) C4'-P energy: -88.978
bonds (distance) P-C4' energy: -99.284
flat angles C4'-P-C4' energy: -93.157
flat angles P-C4'-P energy: -65.011
tors. eta vs tors. theta energy: -99.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1151.119563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.119563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.119563 (E_RNA)
where:
Base-Base interactions energy: -748.291
where: short stacking energy: -337.654
Base-Backbone interact. energy: -1.046
local terms energy: -401.782263
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -93.970
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -66.863
tors. eta vs tors. theta energy: -75.152
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: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -877.655961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.655961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.655961 (E_RNA)
where:
Base-Base interactions energy: -524.221
where: short stacking energy: -266.130
Base-Backbone interact. energy: -0.635
local terms energy: -352.800637
where:
bonds (distance) C4'-P energy: -85.197
bonds (distance) P-C4' energy: -82.781
flat angles C4'-P-C4' energy: -97.422
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -32.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -475.339629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.339629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.339629 (E_RNA)
where:
Base-Base interactions energy: -200.192
where: short stacking energy: -122.699
Base-Backbone interact. energy: 4.593
local terms energy: -279.740887
where:
bonds (distance) C4'-P energy: -70.634
bonds (distance) P-C4' energy: -101.692
flat angles C4'-P-C4' energy: -73.449
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: 14.893
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: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1900.880918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.880918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.880918 (E_RNA)
where:
Base-Base interactions energy: -1309.661
where: short stacking energy: -578.742
Base-Backbone interact. energy: -1.802
local terms energy: -589.417669
where:
bonds (distance) C4'-P energy: -106.783
bonds (distance) P-C4' energy: -90.487
flat angles C4'-P-C4' energy: -128.414
flat angles P-C4'-P energy: -91.814
tors. eta vs tors. theta energy: -171.920
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1826.281961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.281961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.281961 (E_RNA)
where:
Base-Base interactions energy: -1244.990
where: short stacking energy: -567.665
Base-Backbone interact. energy: -3.906
local terms energy: -577.386084
where:
bonds (distance) C4'-P energy: -112.557
bonds (distance) P-C4' energy: -112.678
flat angles C4'-P-C4' energy: -119.803
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -159.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1757.189892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.189892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.189892 (E_RNA)
where:
Base-Base interactions energy: -1216.614
where: short stacking energy: -532.688
Base-Backbone interact. energy: 0.668
local terms energy: -541.244558
where:
bonds (distance) C4'-P energy: -100.178
bonds (distance) P-C4' energy: -93.732
flat angles C4'-P-C4' energy: -118.156
flat angles P-C4'-P energy: -77.743
tors. eta vs tors. theta energy: -151.436
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: 378
Temperature: 1.050000
Total energy: -1680.559888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.559888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.559888 (E_RNA)
where:
Base-Base interactions energy: -1152.063
where: short stacking energy: -524.162
Base-Backbone interact. energy: 3.152
local terms energy: -531.649689
where:
bonds (distance) C4'-P energy: -83.270
bonds (distance) P-C4' energy: -109.560
flat angles C4'-P-C4' energy: -111.076
flat angles P-C4'-P energy: -76.220
tors. eta vs tors. theta energy: -151.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1608.146969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.146969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.146969 (E_RNA)
where:
Base-Base interactions energy: -1097.299
where: short stacking energy: -502.276
Base-Backbone interact. energy: -2.141
local terms energy: -508.707776
where:
bonds (distance) C4'-P energy: -104.456
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -116.482
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -137.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1528.275391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.275391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.275391 (E_RNA)
where:
Base-Base interactions energy: -1041.365
where: short stacking energy: -433.175
Base-Backbone interact. energy: -2.671
local terms energy: -484.239820
where:
bonds (distance) C4'-P energy: -81.965
bonds (distance) P-C4' energy: -96.677
flat angles C4'-P-C4' energy: -110.320
flat angles P-C4'-P energy: -69.523
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1321.806183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.806183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.806183 (E_RNA)
where:
Base-Base interactions energy: -858.443
where: short stacking energy: -386.031
Base-Backbone interact. energy: -1.928
local terms energy: -461.435094
where:
bonds (distance) C4'-P energy: -98.027
bonds (distance) P-C4' energy: -99.110
flat angles C4'-P-C4' energy: -101.911
flat angles P-C4'-P energy: -65.640
tors. eta vs tors. theta energy: -96.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1180.248325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.248325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.248325 (E_RNA)
where:
Base-Base interactions energy: -760.259
where: short stacking energy: -323.054
Base-Backbone interact. energy: -0.587
local terms energy: -419.401924
where:
bonds (distance) C4'-P energy: -93.424
bonds (distance) P-C4' energy: -91.035
flat angles C4'-P-C4' energy: -91.692
flat angles P-C4'-P energy: -67.244
tors. eta vs tors. theta energy: -76.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -793.642862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.642862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.642862 (E_RNA)
where:
Base-Base interactions energy: -463.443
where: short stacking energy: -240.603
Base-Backbone interact. energy: -0.283
local terms energy: -329.916960
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -82.362
flat angles C4'-P-C4' energy: -100.245
flat angles P-C4'-P energy: -53.254
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -517.523313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.523313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.523313 (E_RNA)
where:
Base-Base interactions energy: -223.838
where: short stacking energy: -141.778
Base-Backbone interact. energy: -1.145
local terms energy: -292.540619
where:
bonds (distance) C4'-P energy: -80.815
bonds (distance) P-C4' energy: -90.229
flat angles C4'-P-C4' energy: -75.618
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: 6.189
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1922.272984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.272984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.272984 (E_RNA)
where:
Base-Base interactions energy: -1315.766
where: short stacking energy: -571.330
Base-Backbone interact. energy: -2.467
local terms energy: -604.039696
where:
bonds (distance) C4'-P energy: -106.191
bonds (distance) P-C4' energy: -108.214
flat angles C4'-P-C4' energy: -125.815
flat angles P-C4'-P energy: -87.069
tors. eta vs tors. theta energy: -176.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1781.528965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.528965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.528965 (E_RNA)
where:
Base-Base interactions energy: -1225.987
where: short stacking energy: -547.969
Base-Backbone interact. energy: -2.517
local terms energy: -553.024853
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -99.977
flat angles C4'-P-C4' energy: -118.306
flat angles P-C4'-P energy: -84.601
tors. eta vs tors. theta energy: -153.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1729.592603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.592603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.592603 (E_RNA)
where:
Base-Base interactions energy: -1183.035
where: short stacking energy: -520.339
Base-Backbone interact. energy: -1.098
local terms energy: -545.460045
where:
bonds (distance) C4'-P energy: -95.203
bonds (distance) P-C4' energy: -108.771
flat angles C4'-P-C4' energy: -116.464
flat angles P-C4'-P energy: -72.329
tors. eta vs tors. theta energy: -152.693
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: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1693.901168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.901168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.901168 (E_RNA)
where:
Base-Base interactions energy: -1160.077
where: short stacking energy: -502.811
Base-Backbone interact. energy: -2.557
local terms energy: -531.266832
where:
bonds (distance) C4'-P energy: -89.838
bonds (distance) P-C4' energy: -93.613
flat angles C4'-P-C4' energy: -109.311
flat angles P-C4'-P energy: -81.174
tors. eta vs tors. theta energy: -157.332
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1626.730248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.730248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.730248 (E_RNA)
where:
Base-Base interactions energy: -1113.431
where: short stacking energy: -484.839
Base-Backbone interact. energy: -1.027
local terms energy: -512.272686
where:
bonds (distance) C4'-P energy: -94.677
bonds (distance) P-C4' energy: -92.524
flat angles C4'-P-C4' energy: -111.310
flat angles P-C4'-P energy: -73.244
tors. eta vs tors. theta energy: -140.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1543.363734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.363734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.363734 (E_RNA)
where:
Base-Base interactions energy: -1060.161
where: short stacking energy: -446.208
Base-Backbone interact. energy: 3.385
local terms energy: -486.587546
where:
bonds (distance) C4'-P energy: -86.355
bonds (distance) P-C4' energy: -101.679
flat angles C4'-P-C4' energy: -97.177
flat angles P-C4'-P energy: -78.469
tors. eta vs tors. theta energy: -122.908
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: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1369.883038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.883038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.883038 (E_RNA)
where:
Base-Base interactions energy: -933.093
where: short stacking energy: -409.845
Base-Backbone interact. energy: -1.676
local terms energy: -435.113654
where:
bonds (distance) C4'-P energy: -79.245
bonds (distance) P-C4' energy: -97.621
flat angles C4'-P-C4' energy: -88.730
flat angles P-C4'-P energy: -52.201
tors. eta vs tors. theta energy: -117.316
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: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1255.140763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.140763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.140763 (E_RNA)
where:
Base-Base interactions energy: -824.666
where: short stacking energy: -342.632
Base-Backbone interact. energy: 0.918
local terms energy: -431.392424
where:
bonds (distance) C4'-P energy: -92.811
bonds (distance) P-C4' energy: -98.374
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -66.007
tors. eta vs tors. theta energy: -75.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -818.813912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.813912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.813912 (E_RNA)
where:
Base-Base interactions energy: -490.760
where: short stacking energy: -237.403
Base-Backbone interact. energy: -0.842
local terms energy: -327.211109
where:
bonds (distance) C4'-P energy: -86.058
bonds (distance) P-C4' energy: -81.336
flat angles C4'-P-C4' energy: -77.986
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -534.743414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.743414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.743414 (E_RNA)
where:
Base-Base interactions energy: -245.652
where: short stacking energy: -158.614
Base-Backbone interact. energy: 0.663
local terms energy: -289.754180
where:
bonds (distance) C4'-P energy: -88.342
bonds (distance) P-C4' energy: -80.474
flat angles C4'-P-C4' energy: -69.342
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -1.699
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: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1874.775881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.775881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.775881 (E_RNA)
where:
Base-Base interactions energy: -1295.554
where: short stacking energy: -563.446
Base-Backbone interact. energy: 0.093
local terms energy: -579.314255
where:
bonds (distance) C4'-P energy: -95.222
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -123.183
flat angles P-C4'-P energy: -83.773
tors. eta vs tors. theta energy: -159.240
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: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1785.267250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.267250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.267250 (E_RNA)
where:
Base-Base interactions energy: -1198.922
where: short stacking energy: -546.667
Base-Backbone interact. energy: 0.639
local terms energy: -586.984354
where:
bonds (distance) C4'-P energy: -103.839
bonds (distance) P-C4' energy: -118.146
flat angles C4'-P-C4' energy: -117.833
flat angles P-C4'-P energy: -85.896
tors. eta vs tors. theta energy: -161.271
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1775.783027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.783027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.783027 (E_RNA)
where:
Base-Base interactions energy: -1241.036
where: short stacking energy: -512.673
Base-Backbone interact. energy: -3.097
local terms energy: -531.650235
where:
bonds (distance) C4'-P energy: -95.108
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -111.715
flat angles P-C4'-P energy: -73.911
tors. eta vs tors. theta energy: -149.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1708.135753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.135753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.135753 (E_RNA)
where:
Base-Base interactions energy: -1170.597
where: short stacking energy: -510.746
Base-Backbone interact. energy: -0.418
local terms energy: -537.121005
where:
bonds (distance) C4'-P energy: -102.996
bonds (distance) P-C4' energy: -107.550
flat angles C4'-P-C4' energy: -97.902
flat angles P-C4'-P energy: -77.987
tors. eta vs tors. theta energy: -150.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1598.225753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.225753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.225753 (E_RNA)
where:
Base-Base interactions energy: -1089.119
where: short stacking energy: -472.122
Base-Backbone interact. energy: 2.166
local terms energy: -511.272896
where:
bonds (distance) C4'-P energy: -95.009
bonds (distance) P-C4' energy: -97.691
flat angles C4'-P-C4' energy: -118.529
flat angles P-C4'-P energy: -69.105
tors. eta vs tors. theta energy: -130.938
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: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1551.094849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.094849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.094849 (E_RNA)
where:
Base-Base interactions energy: -1059.096
where: short stacking energy: -458.735
Base-Backbone interact. energy: -1.050
local terms energy: -490.948374
where:
bonds (distance) C4'-P energy: -99.703
bonds (distance) P-C4' energy: -96.922
flat angles C4'-P-C4' energy: -97.583
flat angles P-C4'-P energy: -63.805
tors. eta vs tors. theta energy: -132.935
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1382.974989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.974989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.974989 (E_RNA)
where:
Base-Base interactions energy: -903.426
where: short stacking energy: -364.459
Base-Backbone interact. energy: -1.213
local terms energy: -478.335885
where:
bonds (distance) C4'-P energy: -93.967
bonds (distance) P-C4' energy: -96.697
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -78.664
tors. eta vs tors. theta energy: -103.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1272.356432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.356432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.356432 (E_RNA)
where:
Base-Base interactions energy: -809.949
where: short stacking energy: -370.467
Base-Backbone interact. energy: -0.798
local terms energy: -461.608954
where:
bonds (distance) C4'-P energy: -86.391
bonds (distance) P-C4' energy: -100.695
flat angles C4'-P-C4' energy: -104.974
flat angles P-C4'-P energy: -85.653
tors. eta vs tors. theta energy: -83.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -826.375495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.375495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.375495 (E_RNA)
where:
Base-Base interactions energy: -468.830
where: short stacking energy: -227.813
Base-Backbone interact. energy: 4.922
local terms energy: -362.467233
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -106.064
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -51.946
tors. eta vs tors. theta energy: -31.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -535.562465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.562465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.562465 (E_RNA)
where:
Base-Base interactions energy: -242.864
where: short stacking energy: -134.409
Base-Backbone interact. energy: 2.338
local terms energy: -295.037189
where:
bonds (distance) C4'-P energy: -82.914
bonds (distance) P-C4' energy: -88.340
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -70.485
tors. eta vs tors. theta energy: 15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1897.508945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.508945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.508945 (E_RNA)
where:
Base-Base interactions energy: -1309.646
where: short stacking energy: -561.793
Base-Backbone interact. energy: 5.037
local terms energy: -592.900465
where:
bonds (distance) C4'-P energy: -109.644
bonds (distance) P-C4' energy: -118.704
flat angles C4'-P-C4' energy: -119.637
flat angles P-C4'-P energy: -82.738
tors. eta vs tors. theta energy: -162.178
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: 381
Temperature: 0.950000
Total energy: -1788.969767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.969767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.969767 (E_RNA)
where:
Base-Base interactions energy: -1210.648
where: short stacking energy: -549.756
Base-Backbone interact. energy: -2.776
local terms energy: -575.545759
where:
bonds (distance) C4'-P energy: -102.880
bonds (distance) P-C4' energy: -110.898
flat angles C4'-P-C4' energy: -119.844
flat angles P-C4'-P energy: -82.892
tors. eta vs tors. theta energy: -159.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1733.335455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.335455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.335455 (E_RNA)
where:
Base-Base interactions energy: -1191.439
where: short stacking energy: -523.946
Base-Backbone interact. energy: 1.498
local terms energy: -543.394687
where:
bonds (distance) C4'-P energy: -98.824
bonds (distance) P-C4' energy: -104.940
flat angles C4'-P-C4' energy: -112.085
flat angles P-C4'-P energy: -80.906
tors. eta vs tors. theta energy: -146.640
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: 381
Temperature: 1.050000
Total energy: -1649.976018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.976018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.976018 (E_RNA)
where:
Base-Base interactions energy: -1111.206
where: short stacking energy: -497.742
Base-Backbone interact. energy: 0.637
local terms energy: -539.406630
where:
bonds (distance) C4'-P energy: -95.773
bonds (distance) P-C4' energy: -101.928
flat angles C4'-P-C4' energy: -117.013
flat angles P-C4'-P energy: -75.550
tors. eta vs tors. theta energy: -149.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1610.329202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.329202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.329202 (E_RNA)
where:
Base-Base interactions energy: -1080.370
where: short stacking energy: -478.992
Base-Backbone interact. energy: 7.223
local terms energy: -537.181477
where:
bonds (distance) C4'-P energy: -101.604
bonds (distance) P-C4' energy: -95.035
flat angles C4'-P-C4' energy: -120.703
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -136.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1576.269763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.269763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.269763 (E_RNA)
where:
Base-Base interactions energy: -1060.088
where: short stacking energy: -435.676
Base-Backbone interact. energy: -1.883
local terms energy: -514.298989
where:
bonds (distance) C4'-P energy: -91.111
bonds (distance) P-C4' energy: -102.981
flat angles C4'-P-C4' energy: -117.228
flat angles P-C4'-P energy: -82.472
tors. eta vs tors. theta energy: -120.506
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1355.301788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.301788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.301788 (E_RNA)
where:
Base-Base interactions energy: -907.996
where: short stacking energy: -397.237
Base-Backbone interact. energy: 4.623
local terms energy: -451.928476
where:
bonds (distance) C4'-P energy: -103.991
bonds (distance) P-C4' energy: -71.869
flat angles C4'-P-C4' energy: -91.380
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -112.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1220.206985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.206985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.206985 (E_RNA)
where:
Base-Base interactions energy: -784.014
where: short stacking energy: -352.757
Base-Backbone interact. energy: -1.161
local terms energy: -435.032719
where:
bonds (distance) C4'-P energy: -81.314
bonds (distance) P-C4' energy: -96.086
flat angles C4'-P-C4' energy: -104.273
flat angles P-C4'-P energy: -68.117
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -804.120697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.120697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.120697 (E_RNA)
where:
Base-Base interactions energy: -461.791
where: short stacking energy: -232.333
Base-Backbone interact. energy: 2.594
local terms energy: -344.923290
where:
bonds (distance) C4'-P energy: -95.644
bonds (distance) P-C4' energy: -95.879
flat angles C4'-P-C4' energy: -82.546
flat angles P-C4'-P energy: -33.474
tors. eta vs tors. theta energy: -37.381
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -463.192570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.192570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.192570 (E_RNA)
where:
Base-Base interactions energy: -180.318
where: short stacking energy: -145.206
Base-Backbone interact. energy: 0.159
local terms energy: -283.033353
where:
bonds (distance) C4'-P energy: -88.374
bonds (distance) P-C4' energy: -91.401
flat angles C4'-P-C4' energy: -75.963
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: 6.383
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: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1888.927716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.927716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.927716 (E_RNA)
where:
Base-Base interactions energy: -1306.926
where: short stacking energy: -565.967
Base-Backbone interact. energy: -3.956
local terms energy: -578.045088
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -106.937
flat angles C4'-P-C4' energy: -117.595
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -169.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1776.848389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.848389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.848389 (E_RNA)
where:
Base-Base interactions energy: -1194.665
where: short stacking energy: -540.384
Base-Backbone interact. energy: -0.422
local terms energy: -581.760864
where:
bonds (distance) C4'-P energy: -112.788
bonds (distance) P-C4' energy: -105.454
flat angles C4'-P-C4' energy: -122.575
flat angles P-C4'-P energy: -85.817
tors. eta vs tors. theta energy: -155.127
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: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1741.153624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.153624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.153624 (E_RNA)
where:
Base-Base interactions energy: -1191.988
where: short stacking energy: -525.009
Base-Backbone interact. energy: -1.444
local terms energy: -547.721976
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -115.449
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: -147.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1661.080618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.080618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.080618 (E_RNA)
where:
Base-Base interactions energy: -1128.845
where: short stacking energy: -498.659
Base-Backbone interact. energy: -2.675
local terms energy: -529.560777
where:
bonds (distance) C4'-P energy: -106.371
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -104.885
flat angles P-C4'-P energy: -76.978
tors. eta vs tors. theta energy: -139.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1592.172614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.172614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.172614 (E_RNA)
where:
Base-Base interactions energy: -1083.446
where: short stacking energy: -476.921
Base-Backbone interact. energy: -0.676
local terms energy: -508.050232
where:
bonds (distance) C4'-P energy: -102.105
bonds (distance) P-C4' energy: -98.472
flat angles C4'-P-C4' energy: -106.427
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -135.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1568.127311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.127311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.127311 (E_RNA)
where:
Base-Base interactions energy: -1074.268
where: short stacking energy: -448.452
Base-Backbone interact. energy: 1.644
local terms energy: -495.503749
where:
bonds (distance) C4'-P energy: -93.356
bonds (distance) P-C4' energy: -94.858
flat angles C4'-P-C4' energy: -112.876
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -124.953
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: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1332.708868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.708868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.708868 (E_RNA)
where:
Base-Base interactions energy: -867.328
where: short stacking energy: -395.590
Base-Backbone interact. energy: 0.805
local terms energy: -466.185678
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -97.898
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -111.096
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: 382
Temperature: 1.250000
Total energy: -1187.315678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.315678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.315678 (E_RNA)
where:
Base-Base interactions energy: -789.244
where: short stacking energy: -338.170
Base-Backbone interact. energy: 1.312
local terms energy: -399.383634
where:
bonds (distance) C4'-P energy: -80.369
bonds (distance) P-C4' energy: -102.436
flat angles C4'-P-C4' energy: -93.732
flat angles P-C4'-P energy: -50.977
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -752.148603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.148603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.148603 (E_RNA)
where:
Base-Base interactions energy: -393.698
where: short stacking energy: -205.679
Base-Backbone interact. energy: 0.080
local terms energy: -358.530429
where:
bonds (distance) C4'-P energy: -99.207
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -80.899
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -507.771615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.771615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.771615 (E_RNA)
where:
Base-Base interactions energy: -227.101
where: short stacking energy: -148.840
Base-Backbone interact. energy: -2.091
local terms energy: -278.579974
where:
bonds (distance) C4'-P energy: -82.493
bonds (distance) P-C4' energy: -72.988
flat angles C4'-P-C4' energy: -76.063
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1891.735462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.735462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.735462 (E_RNA)
where:
Base-Base interactions energy: -1274.187
where: short stacking energy: -542.808
Base-Backbone interact. energy: -1.061
local terms energy: -616.486779
where:
bonds (distance) C4'-P energy: -115.645
bonds (distance) P-C4' energy: -125.487
flat angles C4'-P-C4' energy: -129.322
flat angles P-C4'-P energy: -88.322
tors. eta vs tors. theta energy: -157.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1795.788134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.788134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.788134 (E_RNA)
where:
Base-Base interactions energy: -1203.804
where: short stacking energy: -539.871
Base-Backbone interact. energy: -1.847
local terms energy: -590.137175
where:
bonds (distance) C4'-P energy: -108.708
bonds (distance) P-C4' energy: -113.671
flat angles C4'-P-C4' energy: -118.848
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -168.094
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: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1769.290529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.290529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.290529 (E_RNA)
where:
Base-Base interactions energy: -1212.072
where: short stacking energy: -508.100
Base-Backbone interact. energy: -1.550
local terms energy: -555.669112
where:
bonds (distance) C4'-P energy: -94.690
bonds (distance) P-C4' energy: -103.586
flat angles C4'-P-C4' energy: -123.361
flat angles P-C4'-P energy: -85.659
tors. eta vs tors. theta energy: -148.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1672.299861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.299861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.299861 (E_RNA)
where:
Base-Base interactions energy: -1129.948
where: short stacking energy: -501.626
Base-Backbone interact. energy: 0.192
local terms energy: -542.543842
where:
bonds (distance) C4'-P energy: -104.365
bonds (distance) P-C4' energy: -84.355
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -80.254
tors. eta vs tors. theta energy: -143.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1595.314384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.314384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.314384 (E_RNA)
where:
Base-Base interactions energy: -1082.492
where: short stacking energy: -474.399
Base-Backbone interact. energy: -1.747
local terms energy: -511.075471
where:
bonds (distance) C4'-P energy: -106.849
bonds (distance) P-C4' energy: -89.598
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -66.649
tors. eta vs tors. theta energy: -132.573
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: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1541.244478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.244478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.244478 (E_RNA)
where:
Base-Base interactions energy: -1067.544
where: short stacking energy: -463.114
Base-Backbone interact. energy: -1.247
local terms energy: -472.452941
where:
bonds (distance) C4'-P energy: -88.869
bonds (distance) P-C4' energy: -93.052
flat angles C4'-P-C4' energy: -105.123
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -122.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1330.425324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.425324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.425324 (E_RNA)
where:
Base-Base interactions energy: -910.144
where: short stacking energy: -381.617
Base-Backbone interact. energy: -0.939
local terms energy: -419.342735
where:
bonds (distance) C4'-P energy: -85.514
bonds (distance) P-C4' energy: -85.922
flat angles C4'-P-C4' energy: -99.797
flat angles P-C4'-P energy: -50.680
tors. eta vs tors. theta energy: -97.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1116.368021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.368021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.368021 (E_RNA)
where:
Base-Base interactions energy: -726.253
where: short stacking energy: -327.230
Base-Backbone interact. energy: -0.202
local terms energy: -389.912499
where:
bonds (distance) C4'-P energy: -74.630
bonds (distance) P-C4' energy: -101.593
flat angles C4'-P-C4' energy: -99.560
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -63.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -714.845003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.845003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.845003 (E_RNA)
where:
Base-Base interactions energy: -401.044
where: short stacking energy: -192.736
Base-Backbone interact. energy: -1.153
local terms energy: -312.647458
where:
bonds (distance) C4'-P energy: -102.610
bonds (distance) P-C4' energy: -83.879
flat angles C4'-P-C4' energy: -84.525
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -469.669203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.669203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.669203 (E_RNA)
where:
Base-Base interactions energy: -199.324
where: short stacking energy: -103.332
Base-Backbone interact. energy: 0.995
local terms energy: -271.340076
where:
bonds (distance) C4'-P energy: -77.876
bonds (distance) P-C4' energy: -99.356
flat angles C4'-P-C4' energy: -76.100
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: 24.171
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: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1908.947286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.947286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.947286 (E_RNA)
where:
Base-Base interactions energy: -1311.170
where: short stacking energy: -576.810
Base-Backbone interact. energy: -4.299
local terms energy: -593.478076
where:
bonds (distance) C4'-P energy: -102.391
bonds (distance) P-C4' energy: -107.134
flat angles C4'-P-C4' energy: -120.071
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -170.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1801.292689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.292689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.292689 (E_RNA)
where:
Base-Base interactions energy: -1211.888
where: short stacking energy: -539.031
Base-Backbone interact. energy: -2.856
local terms energy: -586.548470
where:
bonds (distance) C4'-P energy: -104.348
bonds (distance) P-C4' energy: -114.201
flat angles C4'-P-C4' energy: -118.942
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -165.344
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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1741.378346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.378346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.378346 (E_RNA)
where:
Base-Base interactions energy: -1186.873
where: short stacking energy: -528.014
Base-Backbone interact. energy: -2.174
local terms energy: -552.332022
where:
bonds (distance) C4'-P energy: -99.160
bonds (distance) P-C4' energy: -99.133
flat angles C4'-P-C4' energy: -112.089
flat angles P-C4'-P energy: -81.258
tors. eta vs tors. theta energy: -160.692
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: 384
Temperature: 1.050000
Total energy: -1706.282600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.282600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.282600 (E_RNA)
where:
Base-Base interactions energy: -1167.700
where: short stacking energy: -485.433
Base-Backbone interact. energy: 1.345
local terms energy: -539.927714
where:
bonds (distance) C4'-P energy: -104.220
bonds (distance) P-C4' energy: -96.540
flat angles C4'-P-C4' energy: -112.928
flat angles P-C4'-P energy: -87.370
tors. eta vs tors. theta energy: -138.871
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: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1578.843477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.843477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.843477 (E_RNA)
where:
Base-Base interactions energy: -1064.502
where: short stacking energy: -446.308
Base-Backbone interact. energy: -1.527
local terms energy: -512.814657
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -107.490
flat angles C4'-P-C4' energy: -116.129
flat angles P-C4'-P energy: -69.317
tors. eta vs tors. theta energy: -125.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1541.095104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.095104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.095104 (E_RNA)
where:
Base-Base interactions energy: -1032.234
where: short stacking energy: -445.464
Base-Backbone interact. energy: 1.180
local terms energy: -510.041418
where:
bonds (distance) C4'-P energy: -95.900
bonds (distance) P-C4' energy: -100.831
flat angles C4'-P-C4' energy: -101.024
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -137.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1342.642021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.642021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.642021 (E_RNA)
where:
Base-Base interactions energy: -892.264
where: short stacking energy: -374.184
Base-Backbone interact. energy: -0.829
local terms energy: -449.548750
where:
bonds (distance) C4'-P energy: -90.764
bonds (distance) P-C4' energy: -93.690
flat angles C4'-P-C4' energy: -93.895
flat angles P-C4'-P energy: -64.552
tors. eta vs tors. theta energy: -106.648
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1162.503329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.503329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.503329 (E_RNA)
where:
Base-Base interactions energy: -758.078
where: short stacking energy: -347.921
Base-Backbone interact. energy: -0.856
local terms energy: -403.569377
where:
bonds (distance) C4'-P energy: -77.684
bonds (distance) P-C4' energy: -87.393
flat angles C4'-P-C4' energy: -89.594
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -80.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -742.626074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.626074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.626074 (E_RNA)
where:
Base-Base interactions energy: -425.162
where: short stacking energy: -197.105
Base-Backbone interact. energy: -0.393
local terms energy: -317.070746
where:
bonds (distance) C4'-P energy: -89.195
bonds (distance) P-C4' energy: -79.847
flat angles C4'-P-C4' energy: -82.023
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -20.898
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -446.697768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.697768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.697768 (E_RNA)
where:
Base-Base interactions energy: -197.966
where: short stacking energy: -117.609
Base-Backbone interact. energy: -3.084
local terms energy: -245.648438
where:
bonds (distance) C4'-P energy: -67.697
bonds (distance) P-C4' energy: -96.534
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -47.756
tors. eta vs tors. theta energy: 37.316
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: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1898.140406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.140406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.140406 (E_RNA)
where:
Base-Base interactions energy: -1301.452
where: short stacking energy: -576.596
Base-Backbone interact. energy: -0.319
local terms energy: -596.369398
where:
bonds (distance) C4'-P energy: -109.398
bonds (distance) P-C4' energy: -109.398
flat angles C4'-P-C4' energy: -119.957
flat angles P-C4'-P energy: -87.147
tors. eta vs tors. theta energy: -170.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1795.985776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.985776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.985776 (E_RNA)
where:
Base-Base interactions energy: -1220.033
where: short stacking energy: -541.986
Base-Backbone interact. energy: -0.936
local terms energy: -575.017525
where:
bonds (distance) C4'-P energy: -107.547
bonds (distance) P-C4' energy: -114.654
flat angles C4'-P-C4' energy: -111.841
flat angles P-C4'-P energy: -76.832
tors. eta vs tors. theta energy: -164.143
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: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1730.451514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.451514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.451514 (E_RNA)
where:
Base-Base interactions energy: -1176.489
where: short stacking energy: -514.783
Base-Backbone interact. energy: -1.922
local terms energy: -552.040622
where:
bonds (distance) C4'-P energy: -103.968
bonds (distance) P-C4' energy: -100.998
flat angles C4'-P-C4' energy: -110.827
flat angles P-C4'-P energy: -79.100
tors. eta vs tors. theta energy: -157.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1677.595914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.595914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.595914 (E_RNA)
where:
Base-Base interactions energy: -1157.549
where: short stacking energy: -493.269
Base-Backbone interact. energy: -2.028
local terms energy: -518.018846
where:
bonds (distance) C4'-P energy: -91.862
bonds (distance) P-C4' energy: -110.649
flat angles C4'-P-C4' energy: -108.298
flat angles P-C4'-P energy: -67.645
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: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1547.713656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.713656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.713656 (E_RNA)
where:
Base-Base interactions energy: -1057.316
where: short stacking energy: -437.792
Base-Backbone interact. energy: -1.890
local terms energy: -488.508093
where:
bonds (distance) C4'-P energy: -84.795
bonds (distance) P-C4' energy: -96.525
flat angles C4'-P-C4' energy: -111.215
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -127.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1546.840098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.840098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.840098 (E_RNA)
where:
Base-Base interactions energy: -1043.657
where: short stacking energy: -457.258
Base-Backbone interact. energy: -0.374
local terms energy: -502.808614
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -109.488
flat angles P-C4'-P energy: -66.700
tors. eta vs tors. theta energy: -132.861
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: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1372.852310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.852310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.852310 (E_RNA)
where:
Base-Base interactions energy: -923.082
where: short stacking energy: -395.723
Base-Backbone interact. energy: 3.360
local terms energy: -453.130368
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -101.412
flat angles C4'-P-C4' energy: -99.581
flat angles P-C4'-P energy: -68.677
tors. eta vs tors. theta energy: -101.822
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: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1117.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.160950 (E_RNA)
where:
Base-Base interactions energy: -724.447
where: short stacking energy: -308.593
Base-Backbone interact. energy: 2.448
local terms energy: -395.162629
where:
bonds (distance) C4'-P energy: -78.974
bonds (distance) P-C4' energy: -90.488
flat angles C4'-P-C4' energy: -85.998
flat angles P-C4'-P energy: -62.325
tors. eta vs tors. theta energy: -77.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -784.413098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.413098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.413098 (E_RNA)
where:
Base-Base interactions energy: -441.568
where: short stacking energy: -225.026
Base-Backbone interact. energy: -0.569
local terms energy: -342.275976
where:
bonds (distance) C4'-P energy: -64.695
bonds (distance) P-C4' energy: -98.306
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -481.398988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.398988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.398988 (E_RNA)
where:
Base-Base interactions energy: -200.837
where: short stacking energy: -130.750
Base-Backbone interact. energy: -3.554
local terms energy: -277.008667
where:
bonds (distance) C4'-P energy: -78.604
bonds (distance) P-C4' energy: -86.715
flat angles C4'-P-C4' energy: -75.057
flat angles P-C4'-P energy: -46.119
tors. eta vs tors. theta energy: 9.487
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: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1886.121093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.121093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.121093 (E_RNA)
where:
Base-Base interactions energy: -1286.745
where: short stacking energy: -580.722
Base-Backbone interact. energy: -2.836
local terms energy: -596.540019
where:
bonds (distance) C4'-P energy: -117.833
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -126.575
flat angles P-C4'-P energy: -84.663
tors. eta vs tors. theta energy: -165.595
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: 386
Temperature: 0.950000
Total energy: -1815.524661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.524661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.524661 (E_RNA)
where:
Base-Base interactions energy: -1246.800
where: short stacking energy: -556.347
Base-Backbone interact. energy: -1.621
local terms energy: -567.104061
where:
bonds (distance) C4'-P energy: -99.258
bonds (distance) P-C4' energy: -97.312
flat angles C4'-P-C4' energy: -123.435
flat angles P-C4'-P energy: -83.055
tors. eta vs tors. theta energy: -164.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1704.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.818262 (E_RNA)
where:
Base-Base interactions energy: -1183.384
where: short stacking energy: -519.927
Base-Backbone interact. energy: 1.295
local terms energy: -522.729934
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -96.985
flat angles C4'-P-C4' energy: -117.943
flat angles P-C4'-P energy: -78.371
tors. eta vs tors. theta energy: -141.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1680.421947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.421947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.421947 (E_RNA)
where:
Base-Base interactions energy: -1166.855
where: short stacking energy: -468.881
Base-Backbone interact. energy: -2.311
local terms energy: -511.256038
where:
bonds (distance) C4'-P energy: -91.913
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -73.035
tors. eta vs tors. theta energy: -133.194
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: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1592.523761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.523761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.523761 (E_RNA)
where:
Base-Base interactions energy: -1095.050
where: short stacking energy: -460.557
Base-Backbone interact. energy: -1.877
local terms energy: -495.596500
where:
bonds (distance) C4'-P energy: -98.030
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -99.958
flat angles P-C4'-P energy: -85.806
tors. eta vs tors. theta energy: -113.568
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1574.173130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.173130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.173130 (E_RNA)
where:
Base-Base interactions energy: -1059.586
where: short stacking energy: -468.249
Base-Backbone interact. energy: 2.968
local terms energy: -517.554797
where:
bonds (distance) C4'-P energy: -97.951
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -113.606
flat angles P-C4'-P energy: -68.595
tors. eta vs tors. theta energy: -133.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1402.440593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.440593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.440593 (E_RNA)
where:
Base-Base interactions energy: -958.822
where: short stacking energy: -414.303
Base-Backbone interact. energy: -1.429
local terms energy: -442.189373
where:
bonds (distance) C4'-P energy: -80.597
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -101.824
flat angles P-C4'-P energy: -54.767
tors. eta vs tors. theta energy: -109.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1163.284950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.284950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.284950 (E_RNA)
where:
Base-Base interactions energy: -734.733
where: short stacking energy: -341.518
Base-Backbone interact. energy: -1.436
local terms energy: -427.116586
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -101.587
flat angles C4'-P-C4' energy: -83.258
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -89.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -765.984053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.984053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.984053 (E_RNA)
where:
Base-Base interactions energy: -458.175
where: short stacking energy: -241.923
Base-Backbone interact. energy: -3.185
local terms energy: -304.623703
where:
bonds (distance) C4'-P energy: -86.813
bonds (distance) P-C4' energy: -82.051
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -483.467658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.467658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.467658 (E_RNA)
where:
Base-Base interactions energy: -191.953
where: short stacking energy: -93.868
Base-Backbone interact. energy: 5.874
local terms energy: -297.388862
where:
bonds (distance) C4'-P energy: -99.829
bonds (distance) P-C4' energy: -91.590
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -56.058
tors. eta vs tors. theta energy: 24.169
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: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1902.295120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.295120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.295120 (E_RNA)
where:
Base-Base interactions energy: -1323.519
where: short stacking energy: -584.620
Base-Backbone interact. energy: 0.357
local terms energy: -579.133502
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -106.936
flat angles C4'-P-C4' energy: -120.745
flat angles P-C4'-P energy: -84.797
tors. eta vs tors. theta energy: -168.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1804.268813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.268813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.268813 (E_RNA)
where:
Base-Base interactions energy: -1252.326
where: short stacking energy: -558.983
Base-Backbone interact. energy: 0.661
local terms energy: -552.604187
where:
bonds (distance) C4'-P energy: -104.804
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -109.948
flat angles P-C4'-P energy: -72.548
tors. eta vs tors. theta energy: -162.390
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: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1706.691282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.691282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.691282 (E_RNA)
where:
Base-Base interactions energy: -1166.032
where: short stacking energy: -498.415
Base-Backbone interact. energy: -1.622
local terms energy: -539.037276
where:
bonds (distance) C4'-P energy: -88.493
bonds (distance) P-C4' energy: -111.551
flat angles C4'-P-C4' energy: -117.872
flat angles P-C4'-P energy: -65.559
tors. eta vs tors. theta energy: -155.561
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1690.294452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.294452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.294452 (E_RNA)
where:
Base-Base interactions energy: -1155.706
where: short stacking energy: -490.642
Base-Backbone interact. energy: -1.019
local terms energy: -533.569061
where:
bonds (distance) C4'-P energy: -96.215
bonds (distance) P-C4' energy: -98.003
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -81.496
tors. eta vs tors. theta energy: -138.962
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: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1587.509922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.509922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.509922 (E_RNA)
where:
Base-Base interactions energy: -1083.358
where: short stacking energy: -458.674
Base-Backbone interact. energy: -1.953
local terms energy: -502.198892
where:
bonds (distance) C4'-P energy: -93.509
bonds (distance) P-C4' energy: -103.329
flat angles C4'-P-C4' energy: -105.424
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: -124.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1557.570583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.570583 (E_RNA)
where:
Base-Base interactions energy: -1045.233
where: short stacking energy: -471.720
Base-Backbone interact. energy: 1.938
local terms energy: -514.275603
where:
bonds (distance) C4'-P energy: -97.312
bonds (distance) P-C4' energy: -86.384
flat angles C4'-P-C4' energy: -123.772
flat angles P-C4'-P energy: -74.505
tors. eta vs tors. theta energy: -132.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1399.986875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.986875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.986875 (E_RNA)
where:
Base-Base interactions energy: -953.189
where: short stacking energy: -399.331
Base-Backbone interact. energy: -0.771
local terms energy: -446.026554
where:
bonds (distance) C4'-P energy: -88.393
bonds (distance) P-C4' energy: -87.859
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -72.278
tors. eta vs tors. theta energy: -103.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1183.781382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.781382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.781382 (E_RNA)
where:
Base-Base interactions energy: -723.868
where: short stacking energy: -350.849
Base-Backbone interact. energy: -0.067
local terms energy: -459.846013
where:
bonds (distance) C4'-P energy: -100.128
bonds (distance) P-C4' energy: -107.869
flat angles C4'-P-C4' energy: -92.246
flat angles P-C4'-P energy: -69.974
tors. eta vs tors. theta energy: -89.629
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: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -759.805303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.805303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.805303 (E_RNA)
where:
Base-Base interactions energy: -462.432
where: short stacking energy: -228.924
Base-Backbone interact. energy: 0.178
local terms energy: -297.551494
where:
bonds (distance) C4'-P energy: -73.781
bonds (distance) P-C4' energy: -90.878
flat angles C4'-P-C4' energy: -86.934
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: 4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -498.181986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.181986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.181986 (E_RNA)
where:
Base-Base interactions energy: -226.819
where: short stacking energy: -141.553
Base-Backbone interact. energy: 12.636
local terms energy: -283.999307
where:
bonds (distance) C4'-P energy: -91.050
bonds (distance) P-C4' energy: -100.352
flat angles C4'-P-C4' energy: -68.455
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: 26.123
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: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1905.114134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.114134 (E_RNA)
where:
Base-Base interactions energy: -1313.124
where: short stacking energy: -584.565
Base-Backbone interact. energy: 0.237
local terms energy: -592.227299
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -100.977
flat angles C4'-P-C4' energy: -124.606
flat angles P-C4'-P energy: -88.475
tors. eta vs tors. theta energy: -169.739
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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1801.719711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.719711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.719711 (E_RNA)
where:
Base-Base interactions energy: -1219.493
where: short stacking energy: -545.280
Base-Backbone interact. energy: -2.173
local terms energy: -580.053384
where:
bonds (distance) C4'-P energy: -109.151
bonds (distance) P-C4' energy: -97.038
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -167.753
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: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1747.764617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.764617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.764617 (E_RNA)
where:
Base-Base interactions energy: -1215.951
where: short stacking energy: -508.081
Base-Backbone interact. energy: 1.607
local terms energy: -533.421262
where:
bonds (distance) C4'-P energy: -98.093
bonds (distance) P-C4' energy: -106.970
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -64.579
tors. eta vs tors. theta energy: -148.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1670.476162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.476162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.476162 (E_RNA)
where:
Base-Base interactions energy: -1124.056
where: short stacking energy: -492.354
Base-Backbone interact. energy: -1.789
local terms energy: -544.631591
where:
bonds (distance) C4'-P energy: -94.673
bonds (distance) P-C4' energy: -112.282
flat angles C4'-P-C4' energy: -119.669
flat angles P-C4'-P energy: -77.220
tors. eta vs tors. theta energy: -140.787
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: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1595.844643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.844643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.844643 (E_RNA)
where:
Base-Base interactions energy: -1092.706
where: short stacking energy: -480.375
Base-Backbone interact. energy: 1.246
local terms energy: -504.385111
where:
bonds (distance) C4'-P energy: -95.841
bonds (distance) P-C4' energy: -90.318
flat angles C4'-P-C4' energy: -111.313
flat angles P-C4'-P energy: -72.754
tors. eta vs tors. theta energy: -134.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1532.245737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.245737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.245737 (E_RNA)
where:
Base-Base interactions energy: -1064.800
where: short stacking energy: -471.315
Base-Backbone interact. energy: -1.246
local terms energy: -466.199327
where:
bonds (distance) C4'-P energy: -90.882
bonds (distance) P-C4' energy: -103.518
flat angles C4'-P-C4' energy: -99.441
flat angles P-C4'-P energy: -51.090
tors. eta vs tors. theta energy: -121.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1361.804367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.804367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.804367 (E_RNA)
where:
Base-Base interactions energy: -919.684
where: short stacking energy: -397.593
Base-Backbone interact. energy: -1.237
local terms energy: -440.882484
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -93.855
flat angles P-C4'-P energy: -66.216
tors. eta vs tors. theta energy: -103.651
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: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1168.135670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.135670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.135670 (E_RNA)
where:
Base-Base interactions energy: -759.250
where: short stacking energy: -361.269
Base-Backbone interact. energy: 3.658
local terms energy: -412.543542
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -93.760
flat angles P-C4'-P energy: -51.990
tors. eta vs tors. theta energy: -74.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -767.430278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.430278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.430278 (E_RNA)
where:
Base-Base interactions energy: -432.736
where: short stacking energy: -207.779
Base-Backbone interact. energy: 0.135
local terms energy: -334.829843
where:
bonds (distance) C4'-P energy: -89.620
bonds (distance) P-C4' energy: -102.904
flat angles C4'-P-C4' energy: -75.562
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -422.920600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.920600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.920600 (E_RNA)
where:
Base-Base interactions energy: -168.128
where: short stacking energy: -100.264
Base-Backbone interact. energy: -2.766
local terms energy: -252.026477
where:
bonds (distance) C4'-P energy: -89.279
bonds (distance) P-C4' energy: -85.171
flat angles C4'-P-C4' energy: -72.394
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: 22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1906.838559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.838559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.838559 (E_RNA)
where:
Base-Base interactions energy: -1307.170
where: short stacking energy: -585.617
Base-Backbone interact. energy: -0.195
local terms energy: -599.473050
where:
bonds (distance) C4'-P energy: -99.488
bonds (distance) P-C4' energy: -111.987
flat angles C4'-P-C4' energy: -129.449
flat angles P-C4'-P energy: -86.417
tors. eta vs tors. theta energy: -172.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1819.104732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.104732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.104732 (E_RNA)
where:
Base-Base interactions energy: -1244.889
where: short stacking energy: -543.065
Base-Backbone interact. energy: 0.428
local terms energy: -574.643941
where:
bonds (distance) C4'-P energy: -109.244
bonds (distance) P-C4' energy: -107.951
flat angles C4'-P-C4' energy: -119.786
flat angles P-C4'-P energy: -80.499
tors. eta vs tors. theta energy: -157.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1750.764701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.764701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.764701 (E_RNA)
where:
Base-Base interactions energy: -1225.133
where: short stacking energy: -526.464
Base-Backbone interact. energy: -4.084
local terms energy: -521.546820
where:
bonds (distance) C4'-P energy: -92.111
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -109.197
flat angles P-C4'-P energy: -78.837
tors. eta vs tors. theta energy: -154.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1673.648676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.648676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.648676 (E_RNA)
where:
Base-Base interactions energy: -1146.938
where: short stacking energy: -506.809
Base-Backbone interact. energy: 0.671
local terms energy: -527.381939
where:
bonds (distance) C4'-P energy: -87.111
bonds (distance) P-C4' energy: -92.554
flat angles C4'-P-C4' energy: -112.923
flat angles P-C4'-P energy: -81.886
tors. eta vs tors. theta energy: -152.909
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: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1634.341326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.341326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.341326 (E_RNA)
where:
Base-Base interactions energy: -1097.299
where: short stacking energy: -475.467
Base-Backbone interact. energy: -1.025
local terms energy: -536.017669
where:
bonds (distance) C4'-P energy: -91.976
bonds (distance) P-C4' energy: -107.953
flat angles C4'-P-C4' energy: -123.720
flat angles P-C4'-P energy: -78.727
tors. eta vs tors. theta energy: -133.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1544.259794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.259794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.259794 (E_RNA)
where:
Base-Base interactions energy: -1041.348
where: short stacking energy: -440.448
Base-Backbone interact. energy: 3.083
local terms energy: -505.995057
where:
bonds (distance) C4'-P energy: -97.989
bonds (distance) P-C4' energy: -95.275
flat angles C4'-P-C4' energy: -108.495
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -131.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1351.764114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.764114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.764114 (E_RNA)
where:
Base-Base interactions energy: -903.688
where: short stacking energy: -419.728
Base-Backbone interact. energy: -0.736
local terms energy: -447.339898
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -82.677
flat angles C4'-P-C4' energy: -98.990
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -107.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1193.442141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.442141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.442141 (E_RNA)
where:
Base-Base interactions energy: -786.958
where: short stacking energy: -364.656
Base-Backbone interact. energy: -1.442
local terms energy: -405.041314
where:
bonds (distance) C4'-P energy: -85.962
bonds (distance) P-C4' energy: -87.907
flat angles C4'-P-C4' energy: -98.252
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -85.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -736.027519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.027519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.027519 (E_RNA)
where:
Base-Base interactions energy: -397.783
where: short stacking energy: -182.686
Base-Backbone interact. energy: 1.318
local terms energy: -339.562242
where:
bonds (distance) C4'-P energy: -102.225
bonds (distance) P-C4' energy: -83.704
flat angles C4'-P-C4' energy: -80.611
flat angles P-C4'-P energy: -54.588
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -424.761176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.761176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.761176 (E_RNA)
where:
Base-Base interactions energy: -162.403
where: short stacking energy: -131.388
Base-Backbone interact. energy: -1.767
local terms energy: -260.591518
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -40.105
tors. eta vs tors. theta energy: 23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1890.750200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.750200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.750200 (E_RNA)
where:
Base-Base interactions energy: -1298.139
where: short stacking energy: -576.993
Base-Backbone interact. energy: -1.230
local terms energy: -591.381780
where:
bonds (distance) C4'-P energy: -99.623
bonds (distance) P-C4' energy: -106.364
flat angles C4'-P-C4' energy: -133.188
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -172.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1812.447815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.447815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.447815 (E_RNA)
where:
Base-Base interactions energy: -1219.685
where: short stacking energy: -529.438
Base-Backbone interact. energy: 2.109
local terms energy: -594.872469
where:
bonds (distance) C4'-P energy: -102.208
bonds (distance) P-C4' energy: -106.130
flat angles C4'-P-C4' energy: -125.220
flat angles P-C4'-P energy: -90.964
tors. eta vs tors. theta energy: -170.350
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1779.166372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.166372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.166372 (E_RNA)
where:
Base-Base interactions energy: -1247.402
where: short stacking energy: -544.315
Base-Backbone interact. energy: -2.344
local terms energy: -529.420005
where:
bonds (distance) C4'-P energy: -100.782
bonds (distance) P-C4' energy: -88.913
flat angles C4'-P-C4' energy: -116.456
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -148.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1681.843544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.843544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.843544 (E_RNA)
where:
Base-Base interactions energy: -1139.494
where: short stacking energy: -508.115
Base-Backbone interact. energy: -1.478
local terms energy: -540.870735
where:
bonds (distance) C4'-P energy: -88.648
bonds (distance) P-C4' energy: -91.822
flat angles C4'-P-C4' energy: -108.919
flat angles P-C4'-P energy: -90.755
tors. eta vs tors. theta energy: -160.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1605.257020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.257020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.257020 (E_RNA)
where:
Base-Base interactions energy: -1091.044
where: short stacking energy: -461.463
Base-Backbone interact. energy: -0.436
local terms energy: -513.776887
where:
bonds (distance) C4'-P energy: -92.138
bonds (distance) P-C4' energy: -100.176
flat angles C4'-P-C4' energy: -113.299
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: -138.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1592.824847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.824847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.824847 (E_RNA)
where:
Base-Base interactions energy: -1089.391
where: short stacking energy: -464.928
Base-Backbone interact. energy: -1.163
local terms energy: -502.271108
where:
bonds (distance) C4'-P energy: -89.882
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -105.668
flat angles P-C4'-P energy: -76.456
tors. eta vs tors. theta energy: -142.802
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: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1410.670165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.670165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.670165 (E_RNA)
where:
Base-Base interactions energy: -935.471
where: short stacking energy: -403.912
Base-Backbone interact. energy: -1.893
local terms energy: -473.306330
where:
bonds (distance) C4'-P energy: -109.516
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -102.161
flat angles P-C4'-P energy: -61.943
tors. eta vs tors. theta energy: -103.494
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: 390
Temperature: 1.250000
Total energy: -1154.953180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.953180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.953180 (E_RNA)
where:
Base-Base interactions energy: -743.831
where: short stacking energy: -319.845
Base-Backbone interact. energy: -2.032
local terms energy: -409.090860
where:
bonds (distance) C4'-P energy: -96.252
bonds (distance) P-C4' energy: -95.033
flat angles C4'-P-C4' energy: -94.335
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -70.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -731.994818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.994818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.994818 (E_RNA)
where:
Base-Base interactions energy: -439.020
where: short stacking energy: -220.953
Base-Backbone interact. energy: 2.727
local terms energy: -295.701372
where:
bonds (distance) C4'-P energy: -87.251
bonds (distance) P-C4' energy: -79.426
flat angles C4'-P-C4' energy: -76.355
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -418.128509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.128509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.128509 (E_RNA)
where:
Base-Base interactions energy: -138.940
where: short stacking energy: -106.133
Base-Backbone interact. energy: -2.636
local terms energy: -276.552966
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -92.134
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: 25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1864.903331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.903331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.903331 (E_RNA)
where:
Base-Base interactions energy: -1266.953
where: short stacking energy: -558.646
Base-Backbone interact. energy: -3.895
local terms energy: -594.054636
where:
bonds (distance) C4'-P energy: -116.004
bonds (distance) P-C4' energy: -110.840
flat angles C4'-P-C4' energy: -120.404
flat angles P-C4'-P energy: -81.031
tors. eta vs tors. theta energy: -165.774
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: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1808.482086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.482086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.482086 (E_RNA)
where:
Base-Base interactions energy: -1233.315
where: short stacking energy: -557.058
Base-Backbone interact. energy: -1.468
local terms energy: -573.699526
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -97.514
flat angles C4'-P-C4' energy: -124.403
flat angles P-C4'-P energy: -89.239
tors. eta vs tors. theta energy: -157.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1780.506475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.506475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.506475 (E_RNA)
where:
Base-Base interactions energy: -1219.744
where: short stacking energy: -516.466
Base-Backbone interact. energy: -4.475
local terms energy: -556.288000
where:
bonds (distance) C4'-P energy: -99.965
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -111.963
flat angles P-C4'-P energy: -83.246
tors. eta vs tors. theta energy: -151.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1662.257273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.257273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.257273 (E_RNA)
where:
Base-Base interactions energy: -1135.465
where: short stacking energy: -523.643
Base-Backbone interact. energy: -1.411
local terms energy: -525.381667
where:
bonds (distance) C4'-P energy: -97.950
bonds (distance) P-C4' energy: -77.183
flat angles C4'-P-C4' energy: -124.110
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -155.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1600.363772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.363772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.363772 (E_RNA)
where:
Base-Base interactions energy: -1085.097
where: short stacking energy: -455.761
Base-Backbone interact. energy: 3.609
local terms energy: -518.875524
where:
bonds (distance) C4'-P energy: -110.020
bonds (distance) P-C4' energy: -98.353
flat angles C4'-P-C4' energy: -124.862
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -120.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1471.414082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.414082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.414082 (E_RNA)
where:
Base-Base interactions energy: -1003.745
where: short stacking energy: -441.349
Base-Backbone interact. energy: -1.657
local terms energy: -466.011450
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -88.374
flat angles C4'-P-C4' energy: -100.170
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -132.680
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: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1477.404724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.404724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.404724 (E_RNA)
where:
Base-Base interactions energy: -1006.716
where: short stacking energy: -437.122
Base-Backbone interact. energy: -1.034
local terms energy: -469.655284
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -96.769
flat angles P-C4'-P energy: -71.501
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: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1249.764170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.764170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.764170 (E_RNA)
where:
Base-Base interactions energy: -819.129
where: short stacking energy: -365.279
Base-Backbone interact. energy: -0.035
local terms energy: -430.599450
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -104.044
flat angles C4'-P-C4' energy: -98.904
flat angles P-C4'-P energy: -63.046
tors. eta vs tors. theta energy: -75.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -681.133959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.133959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.133959 (E_RNA)
where:
Base-Base interactions energy: -375.672
where: short stacking energy: -197.979
Base-Backbone interact. energy: 1.735
local terms energy: -307.196727
where:
bonds (distance) C4'-P energy: -86.909
bonds (distance) P-C4' energy: -90.495
flat angles C4'-P-C4' energy: -77.740
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -445.675485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.675485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.675485 (E_RNA)
where:
Base-Base interactions energy: -154.671
where: short stacking energy: -123.187
Base-Backbone interact. energy: 1.604
local terms energy: -292.607870
where:
bonds (distance) C4'-P energy: -71.537
bonds (distance) P-C4' energy: -107.849
flat angles C4'-P-C4' energy: -80.235
flat angles P-C4'-P energy: -37.654
tors. eta vs tors. theta energy: 4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1876.288722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.288722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.288722 (E_RNA)
where:
Base-Base interactions energy: -1288.206
where: short stacking energy: -575.577
Base-Backbone interact. energy: -3.226
local terms energy: -584.856558
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -113.652
flat angles P-C4'-P energy: -81.315
tors. eta vs tors. theta energy: -171.063
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: 392
Temperature: 0.950000
Total energy: -1795.986742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.986742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.986742 (E_RNA)
where:
Base-Base interactions energy: -1232.811
where: short stacking energy: -553.838
Base-Backbone interact. energy: -1.114
local terms energy: -562.061982
where:
bonds (distance) C4'-P energy: -102.114
bonds (distance) P-C4' energy: -108.122
flat angles C4'-P-C4' energy: -121.527
flat angles P-C4'-P energy: -76.112
tors. eta vs tors. theta energy: -154.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1772.351777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.351777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.351777 (E_RNA)
where:
Base-Base interactions energy: -1225.443
where: short stacking energy: -543.179
Base-Backbone interact. energy: -3.184
local terms energy: -543.724679
where:
bonds (distance) C4'-P energy: -101.549
bonds (distance) P-C4' energy: -87.748
flat angles C4'-P-C4' energy: -122.277
flat angles P-C4'-P energy: -74.901
tors. eta vs tors. theta energy: -157.249
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: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1661.206219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.206219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.206219 (E_RNA)
where:
Base-Base interactions energy: -1111.347
where: short stacking energy: -494.811
Base-Backbone interact. energy: -2.496
local terms energy: -547.363453
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -104.366
flat angles C4'-P-C4' energy: -114.480
flat angles P-C4'-P energy: -75.599
tors. eta vs tors. theta energy: -144.318
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: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1633.940055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.940055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.940055 (E_RNA)
where:
Base-Base interactions energy: -1126.158
where: short stacking energy: -476.104
Base-Backbone interact. energy: -0.061
local terms energy: -507.721264
where:
bonds (distance) C4'-P energy: -100.510
bonds (distance) P-C4' energy: -96.551
flat angles C4'-P-C4' energy: -103.656
flat angles P-C4'-P energy: -81.619
tors. eta vs tors. theta energy: -125.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1470.592372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.592372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.592372 (E_RNA)
where:
Base-Base interactions energy: -975.707
where: short stacking energy: -420.197
Base-Backbone interact. energy: -1.046
local terms energy: -493.839376
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -103.533
flat angles C4'-P-C4' energy: -104.311
flat angles P-C4'-P energy: -71.738
tors. eta vs tors. theta energy: -117.809
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: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1507.528276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.528276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.528276 (E_RNA)
where:
Base-Base interactions energy: -1031.073
where: short stacking energy: -437.226
Base-Backbone interact. energy: -3.878
local terms energy: -472.576616
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -91.350
flat angles C4'-P-C4' energy: -117.217
flat angles P-C4'-P energy: -71.290
tors. eta vs tors. theta energy: -111.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1179.209139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.209139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.209139 (E_RNA)
where:
Base-Base interactions energy: -762.174
where: short stacking energy: -334.862
Base-Backbone interact. energy: -0.686
local terms energy: -416.348905
where:
bonds (distance) C4'-P energy: -80.896
bonds (distance) P-C4' energy: -95.065
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -67.479
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -697.341044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.341044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.341044 (E_RNA)
where:
Base-Base interactions energy: -354.791
where: short stacking energy: -196.857
Base-Backbone interact. energy: 1.010
local terms energy: -343.559886
where:
bonds (distance) C4'-P energy: -86.926
bonds (distance) P-C4' energy: -93.135
flat angles C4'-P-C4' energy: -73.776
flat angles P-C4'-P energy: -66.053
tors. eta vs tors. theta energy: -23.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -442.139113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.139113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.139113 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -124.542
Base-Backbone interact. energy: 0.542
local terms energy: -287.299913
where:
bonds (distance) C4'-P energy: -74.723
bonds (distance) P-C4' energy: -109.123
flat angles C4'-P-C4' energy: -76.347
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: 21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1880.335860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.335860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.335860 (E_RNA)
where:
Base-Base interactions energy: -1284.914
where: short stacking energy: -570.111
Base-Backbone interact. energy: -1.748
local terms energy: -593.674001
where:
bonds (distance) C4'-P energy: -119.087
bonds (distance) P-C4' energy: -111.451
flat angles C4'-P-C4' energy: -118.651
flat angles P-C4'-P energy: -87.879
tors. eta vs tors. theta energy: -156.606
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: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1805.210405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.210405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.210405 (E_RNA)
where:
Base-Base interactions energy: -1230.987
where: short stacking energy: -538.493
Base-Backbone interact. energy: -0.902
local terms energy: -573.321479
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -107.713
flat angles C4'-P-C4' energy: -120.865
flat angles P-C4'-P energy: -85.292
tors. eta vs tors. theta energy: -159.555
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: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1747.674395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.674395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.674395 (E_RNA)
where:
Base-Base interactions energy: -1186.564
where: short stacking energy: -510.168
Base-Backbone interact. energy: -1.491
local terms energy: -559.618887
where:
bonds (distance) C4'-P energy: -87.049
bonds (distance) P-C4' energy: -118.977
flat angles C4'-P-C4' energy: -123.726
flat angles P-C4'-P energy: -74.088
tors. eta vs tors. theta energy: -155.778
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: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1673.793308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.793308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.793308 (E_RNA)
where:
Base-Base interactions energy: -1133.822
where: short stacking energy: -510.921
Base-Backbone interact. energy: -0.320
local terms energy: -539.651710
where:
bonds (distance) C4'-P energy: -104.546
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -116.874
flat angles P-C4'-P energy: -73.640
tors. eta vs tors. theta energy: -153.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1628.842866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.842866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.842866 (E_RNA)
where:
Base-Base interactions energy: -1117.214
where: short stacking energy: -474.385
Base-Backbone interact. energy: -1.861
local terms energy: -509.767454
where:
bonds (distance) C4'-P energy: -96.545
bonds (distance) P-C4' energy: -92.978
flat angles C4'-P-C4' energy: -117.365
flat angles P-C4'-P energy: -76.984
tors. eta vs tors. theta energy: -125.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1576.139135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.139135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.139135 (E_RNA)
where:
Base-Base interactions energy: -1076.275
where: short stacking energy: -462.607
Base-Backbone interact. energy: -1.822
local terms energy: -498.042774
where:
bonds (distance) C4'-P energy: -95.251
bonds (distance) P-C4' energy: -101.750
flat angles C4'-P-C4' energy: -93.575
flat angles P-C4'-P energy: -69.367
tors. eta vs tors. theta energy: -138.100
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: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1388.737197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.737197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.737197 (E_RNA)
where:
Base-Base interactions energy: -938.026
where: short stacking energy: -392.003
Base-Backbone interact. energy: -1.640
local terms energy: -449.071006
where:
bonds (distance) C4'-P energy: -88.184
bonds (distance) P-C4' energy: -73.408
flat angles C4'-P-C4' energy: -105.099
flat angles P-C4'-P energy: -75.034
tors. eta vs tors. theta energy: -107.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1197.963909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.963909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.963909 (E_RNA)
where:
Base-Base interactions energy: -788.119
where: short stacking energy: -347.831
Base-Backbone interact. energy: -0.693
local terms energy: -409.152176
where:
bonds (distance) C4'-P energy: -87.990
bonds (distance) P-C4' energy: -81.044
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: -79.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -729.507365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.507365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.507365 (E_RNA)
where:
Base-Base interactions energy: -393.366
where: short stacking energy: -214.235
Base-Backbone interact. energy: 3.792
local terms energy: -339.933295
where:
bonds (distance) C4'-P energy: -80.200
bonds (distance) P-C4' energy: -102.362
flat angles C4'-P-C4' energy: -85.512
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -437.830663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.830663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.830663 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -121.200
Base-Backbone interact. energy: -0.625
local terms energy: -304.614062
where:
bonds (distance) C4'-P energy: -84.104
bonds (distance) P-C4' energy: -95.020
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -55.255
tors. eta vs tors. theta energy: 15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1894.940538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.940538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.940538 (E_RNA)
where:
Base-Base interactions energy: -1275.493
where: short stacking energy: -544.298
Base-Backbone interact. energy: -1.103
local terms energy: -618.344182
where:
bonds (distance) C4'-P energy: -115.454
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -123.016
flat angles P-C4'-P energy: -104.567
tors. eta vs tors. theta energy: -156.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1816.273349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.273349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.273349 (E_RNA)
where:
Base-Base interactions energy: -1237.093
where: short stacking energy: -568.715
Base-Backbone interact. energy: 2.716
local terms energy: -581.896251
where:
bonds (distance) C4'-P energy: -100.939
bonds (distance) P-C4' energy: -109.709
flat angles C4'-P-C4' energy: -115.430
flat angles P-C4'-P energy: -85.915
tors. eta vs tors. theta energy: -169.904
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: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1745.469290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.469290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.469290 (E_RNA)
where:
Base-Base interactions energy: -1209.482
where: short stacking energy: -523.619
Base-Backbone interact. energy: -1.630
local terms energy: -534.357334
where:
bonds (distance) C4'-P energy: -96.552
bonds (distance) P-C4' energy: -96.633
flat angles C4'-P-C4' energy: -107.786
flat angles P-C4'-P energy: -75.310
tors. eta vs tors. theta energy: -158.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1660.089917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.089917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.089917 (E_RNA)
where:
Base-Base interactions energy: -1109.386
where: short stacking energy: -494.195
Base-Backbone interact. energy: -1.553
local terms energy: -549.151125
where:
bonds (distance) C4'-P energy: -106.311
bonds (distance) P-C4' energy: -109.683
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -81.783
tors. eta vs tors. theta energy: -143.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1573.383842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.383842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.383842 (E_RNA)
where:
Base-Base interactions energy: -1072.164
where: short stacking energy: -469.540
Base-Backbone interact. energy: -0.269
local terms energy: -500.951287
where:
bonds (distance) C4'-P energy: -93.269
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -105.034
flat angles P-C4'-P energy: -75.806
tors. eta vs tors. theta energy: -131.705
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1533.558469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.558469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.558469 (E_RNA)
where:
Base-Base interactions energy: -1048.384
where: short stacking energy: -446.698
Base-Backbone interact. energy: 3.616
local terms energy: -488.789936
where:
bonds (distance) C4'-P energy: -96.066
bonds (distance) P-C4' energy: -89.836
flat angles C4'-P-C4' energy: -102.543
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: -132.803
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: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1343.311549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.311549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.311549 (E_RNA)
where:
Base-Base interactions energy: -901.120
where: short stacking energy: -375.776
Base-Backbone interact. energy: -1.661
local terms energy: -440.530171
where:
bonds (distance) C4'-P energy: -89.044
bonds (distance) P-C4' energy: -86.810
flat angles C4'-P-C4' energy: -96.222
flat angles P-C4'-P energy: -69.451
tors. eta vs tors. theta energy: -99.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1188.321112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.321112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.321112 (E_RNA)
where:
Base-Base interactions energy: -770.065
where: short stacking energy: -326.598
Base-Backbone interact. energy: -0.797
local terms energy: -417.458986
where:
bonds (distance) C4'-P energy: -92.543
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -99.389
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: -79.348
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: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -693.196863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.196863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.196863 (E_RNA)
where:
Base-Base interactions energy: -357.826
where: short stacking energy: -200.700
Base-Backbone interact. energy: -2.129
local terms energy: -333.242849
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -88.600
flat angles C4'-P-C4' energy: -83.967
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -420.183756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.183756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.183756 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -128.062
Base-Backbone interact. energy: -0.491
local terms energy: -272.291344
where:
bonds (distance) C4'-P energy: -95.100
bonds (distance) P-C4' energy: -79.606
flat angles C4'-P-C4' energy: -73.479
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: 12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1894.865431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.865431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.865431 (E_RNA)
where:
Base-Base interactions energy: -1292.607
where: short stacking energy: -558.701
Base-Backbone interact. energy: -3.733
local terms energy: -598.525263
where:
bonds (distance) C4'-P energy: -98.798
bonds (distance) P-C4' energy: -111.827
flat angles C4'-P-C4' energy: -133.103
flat angles P-C4'-P energy: -90.474
tors. eta vs tors. theta energy: -164.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1793.088998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.088998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.088998 (E_RNA)
where:
Base-Base interactions energy: -1221.361
where: short stacking energy: -508.443
Base-Backbone interact. energy: -2.320
local terms energy: -569.408716
where:
bonds (distance) C4'-P energy: -96.393
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -130.861
flat angles P-C4'-P energy: -83.124
tors. eta vs tors. theta energy: -157.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1745.245900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.245900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.245900 (E_RNA)
where:
Base-Base interactions energy: -1205.564
where: short stacking energy: -526.391
Base-Backbone interact. energy: -0.674
local terms energy: -539.007495
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -100.139
flat angles C4'-P-C4' energy: -111.998
flat angles P-C4'-P energy: -73.222
tors. eta vs tors. theta energy: -154.174
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: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1674.262667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.262667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.262667 (E_RNA)
where:
Base-Base interactions energy: -1135.466
where: short stacking energy: -487.646
Base-Backbone interact. energy: -0.716
local terms energy: -538.081100
where:
bonds (distance) C4'-P energy: -110.520
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -110.387
flat angles P-C4'-P energy: -82.072
tors. eta vs tors. theta energy: -139.077
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: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1556.842446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.842446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.842446 (E_RNA)
where:
Base-Base interactions energy: -1062.779
where: short stacking energy: -459.759
Base-Backbone interact. energy: -0.938
local terms energy: -493.125589
where:
bonds (distance) C4'-P energy: -95.535
bonds (distance) P-C4' energy: -102.787
flat angles C4'-P-C4' energy: -118.177
flat angles P-C4'-P energy: -60.667
tors. eta vs tors. theta energy: -115.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1563.154001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.154001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.154001 (E_RNA)
where:
Base-Base interactions energy: -1071.873
where: short stacking energy: -436.423
Base-Backbone interact. energy: -1.247
local terms energy: -490.033276
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -98.295
flat angles C4'-P-C4' energy: -101.411
flat angles P-C4'-P energy: -72.451
tors. eta vs tors. theta energy: -129.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1367.444428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.444428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.444428 (E_RNA)
where:
Base-Base interactions energy: -926.276
where: short stacking energy: -398.796
Base-Backbone interact. energy: -2.713
local terms energy: -438.455442
where:
bonds (distance) C4'-P energy: -90.819
bonds (distance) P-C4' energy: -84.204
flat angles C4'-P-C4' energy: -99.587
flat angles P-C4'-P energy: -69.600
tors. eta vs tors. theta energy: -94.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1209.318011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.318011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.318011 (E_RNA)
where:
Base-Base interactions energy: -798.841
where: short stacking energy: -344.228
Base-Backbone interact. energy: 1.861
local terms energy: -412.338187
where:
bonds (distance) C4'-P energy: -84.453
bonds (distance) P-C4' energy: -84.903
flat angles C4'-P-C4' energy: -106.155
flat angles P-C4'-P energy: -61.540
tors. eta vs tors. theta energy: -75.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -652.908462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.908462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.908462 (E_RNA)
where:
Base-Base interactions energy: -343.174
where: short stacking energy: -200.409
Base-Backbone interact. energy: -1.342
local terms energy: -308.392540
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -82.967
flat angles P-C4'-P energy: -50.158
tors. eta vs tors. theta energy: 2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -435.422612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.422612 (E_RNA)
where:
Base-Base interactions energy: -170.480
where: short stacking energy: -147.596
Base-Backbone interact. energy: -2.689
local terms energy: -262.254240
where:
bonds (distance) C4'-P energy: -77.436
bonds (distance) P-C4' energy: -86.361
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: 10.486
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1899.264322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.264322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.264322 (E_RNA)
where:
Base-Base interactions energy: -1302.872
where: short stacking energy: -567.566
Base-Backbone interact. energy: -1.379
local terms energy: -595.012603
where:
bonds (distance) C4'-P energy: -116.610
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -117.528
flat angles P-C4'-P energy: -86.480
tors. eta vs tors. theta energy: -172.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1795.455826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.455826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.455826 (E_RNA)
where:
Base-Base interactions energy: -1219.658
where: short stacking energy: -554.685
Base-Backbone interact. energy: -0.299
local terms energy: -575.498459
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -109.273
flat angles C4'-P-C4' energy: -121.452
flat angles P-C4'-P energy: -81.313
tors. eta vs tors. theta energy: -164.231
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: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1738.719370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.719370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.719370 (E_RNA)
where:
Base-Base interactions energy: -1202.552
where: short stacking energy: -513.025
Base-Backbone interact. energy: -1.955
local terms energy: -534.211731
where:
bonds (distance) C4'-P energy: -94.139
bonds (distance) P-C4' energy: -105.361
flat angles C4'-P-C4' energy: -123.750
flat angles P-C4'-P energy: -67.900
tors. eta vs tors. theta energy: -143.063
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: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1680.401277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.401277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.401277 (E_RNA)
where:
Base-Base interactions energy: -1139.833
where: short stacking energy: -513.178
Base-Backbone interact. energy: -1.698
local terms energy: -538.870497
where:
bonds (distance) C4'-P energy: -105.057
bonds (distance) P-C4' energy: -96.936
flat angles C4'-P-C4' energy: -127.568
flat angles P-C4'-P energy: -72.109
tors. eta vs tors. theta energy: -137.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1565.766212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.766212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.766212 (E_RNA)
where:
Base-Base interactions energy: -1062.017
where: short stacking energy: -436.764
Base-Backbone interact. energy: -1.394
local terms energy: -502.354494
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -118.026
flat angles P-C4'-P energy: -65.826
tors. eta vs tors. theta energy: -129.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1519.540739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.540739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.540739 (E_RNA)
where:
Base-Base interactions energy: -1026.660
where: short stacking energy: -441.950
Base-Backbone interact. energy: 0.283
local terms energy: -493.163280
where:
bonds (distance) C4'-P energy: -111.550
bonds (distance) P-C4' energy: -93.662
flat angles C4'-P-C4' energy: -99.258
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -119.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1375.896708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.896708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.896708 (E_RNA)
where:
Base-Base interactions energy: -908.271
where: short stacking energy: -390.886
Base-Backbone interact. energy: 0.513
local terms energy: -468.139346
where:
bonds (distance) C4'-P energy: -102.931
bonds (distance) P-C4' energy: -99.373
flat angles C4'-P-C4' energy: -90.108
flat angles P-C4'-P energy: -58.303
tors. eta vs tors. theta energy: -117.424
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: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1213.678790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.678790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.678790 (E_RNA)
where:
Base-Base interactions energy: -801.635
where: short stacking energy: -353.094
Base-Backbone interact. energy: 1.762
local terms energy: -413.805820
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -94.206
flat angles C4'-P-C4' energy: -95.222
flat angles P-C4'-P energy: -59.426
tors. eta vs tors. theta energy: -87.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -666.384060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.384060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.384060 (E_RNA)
where:
Base-Base interactions energy: -325.893
where: short stacking energy: -178.130
Base-Backbone interact. energy: -0.825
local terms energy: -339.665504
where:
bonds (distance) C4'-P energy: -90.924
bonds (distance) P-C4' energy: -94.334
flat angles C4'-P-C4' energy: -90.510
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -427.858430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.858430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.858430 (E_RNA)
where:
Base-Base interactions energy: -181.638
where: short stacking energy: -142.345
Base-Backbone interact. energy: 6.909
local terms energy: -253.129232
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -79.349
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: 26.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1895.802870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.802870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.802870 (E_RNA)
where:
Base-Base interactions energy: -1292.404
where: short stacking energy: -573.662
Base-Backbone interact. energy: -4.055
local terms energy: -599.343986
where:
bonds (distance) C4'-P energy: -110.382
bonds (distance) P-C4' energy: -113.007
flat angles C4'-P-C4' energy: -116.467
flat angles P-C4'-P energy: -87.753
tors. eta vs tors. theta energy: -171.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1759.206885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.206885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.206885 (E_RNA)
where:
Base-Base interactions energy: -1191.459
where: short stacking energy: -536.895
Base-Backbone interact. energy: 0.672
local terms energy: -568.419907
where:
bonds (distance) C4'-P energy: -105.021
bonds (distance) P-C4' energy: -96.695
flat angles C4'-P-C4' energy: -119.974
flat angles P-C4'-P energy: -83.712
tors. eta vs tors. theta energy: -163.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1758.585503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.585503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.585503 (E_RNA)
where:
Base-Base interactions energy: -1197.054
where: short stacking energy: -512.308
Base-Backbone interact. energy: 2.817
local terms energy: -564.348698
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -113.336
flat angles C4'-P-C4' energy: -121.581
flat angles P-C4'-P energy: -76.571
tors. eta vs tors. theta energy: -152.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1673.772829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.772829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.772829 (E_RNA)
where:
Base-Base interactions energy: -1140.279
where: short stacking energy: -505.654
Base-Backbone interact. energy: -1.168
local terms energy: -532.325731
where:
bonds (distance) C4'-P energy: -100.606
bonds (distance) P-C4' energy: -93.817
flat angles C4'-P-C4' energy: -124.913
flat angles P-C4'-P energy: -74.703
tors. eta vs tors. theta energy: -138.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1605.312485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.312485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.312485 (E_RNA)
where:
Base-Base interactions energy: -1106.353
where: short stacking energy: -475.560
Base-Backbone interact. energy: -3.207
local terms energy: -495.752808
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -88.499
flat angles C4'-P-C4' energy: -111.586
flat angles P-C4'-P energy: -80.410
tors. eta vs tors. theta energy: -130.103
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1510.707791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.707791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.707791 (E_RNA)
where:
Base-Base interactions energy: -1022.874
where: short stacking energy: -449.695
Base-Backbone interact. energy: -0.362
local terms energy: -487.471818
where:
bonds (distance) C4'-P energy: -90.101
bonds (distance) P-C4' energy: -90.520
flat angles C4'-P-C4' energy: -117.159
flat angles P-C4'-P energy: -64.765
tors. eta vs tors. theta energy: -124.927
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: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1352.523937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.523937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.523937 (E_RNA)
where:
Base-Base interactions energy: -908.808
where: short stacking energy: -379.831
Base-Backbone interact. energy: -3.575
local terms energy: -440.140865
where:
bonds (distance) C4'-P energy: -88.327
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -99.647
flat angles P-C4'-P energy: -70.147
tors. eta vs tors. theta energy: -96.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1241.773638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.773638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.773638 (E_RNA)
where:
Base-Base interactions energy: -818.986
where: short stacking energy: -369.693
Base-Backbone interact. energy: 2.671
local terms energy: -425.457961
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -102.327
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -91.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -678.792327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.792327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.792327 (E_RNA)
where:
Base-Base interactions energy: -363.161
where: short stacking energy: -200.511
Base-Backbone interact. energy: -0.840
local terms energy: -314.791610
where:
bonds (distance) C4'-P energy: -72.117
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -84.322
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -429.182885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.182885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.182885 (E_RNA)
where:
Base-Base interactions energy: -139.987
where: short stacking energy: -121.905
Base-Backbone interact. energy: -0.257
local terms energy: -288.938791
where:
bonds (distance) C4'-P energy: -101.235
bonds (distance) P-C4' energy: -90.856
flat angles C4'-P-C4' energy: -80.792
flat angles P-C4'-P energy: -33.523
tors. eta vs tors. theta energy: 17.469
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: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1926.772939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.772939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.772939 (E_RNA)
where:
Base-Base interactions energy: -1320.851
where: short stacking energy: -558.264
Base-Backbone interact. energy: -1.378
local terms energy: -604.543479
where:
bonds (distance) C4'-P energy: -109.193
bonds (distance) P-C4' energy: -113.659
flat angles C4'-P-C4' energy: -128.244
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -170.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1778.232731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.232731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.232731 (E_RNA)
where:
Base-Base interactions energy: -1202.366
where: short stacking energy: -535.434
Base-Backbone interact. energy: -2.094
local terms energy: -573.772580
where:
bonds (distance) C4'-P energy: -107.081
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -117.488
flat angles P-C4'-P energy: -87.435
tors. eta vs tors. theta energy: -159.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1776.938251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.938251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.938251 (E_RNA)
where:
Base-Base interactions energy: -1251.128
where: short stacking energy: -511.593
Base-Backbone interact. energy: -4.454
local terms energy: -521.356682
where:
bonds (distance) C4'-P energy: -94.654
bonds (distance) P-C4' energy: -89.474
flat angles C4'-P-C4' energy: -112.225
flat angles P-C4'-P energy: -75.400
tors. eta vs tors. theta energy: -149.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1665.569104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.569104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.569104 (E_RNA)
where:
Base-Base interactions energy: -1119.890
where: short stacking energy: -501.070
Base-Backbone interact. energy: -1.431
local terms energy: -544.248694
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -113.333
flat angles C4'-P-C4' energy: -100.162
flat angles P-C4'-P energy: -83.643
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1574.403904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.403904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.403904 (E_RNA)
where:
Base-Base interactions energy: -1073.285
where: short stacking energy: -463.253
Base-Backbone interact. energy: -0.032
local terms energy: -501.086709
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -115.821
flat angles P-C4'-P energy: -71.215
tors. eta vs tors. theta energy: -136.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1510.953739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.953739 (E_RNA)
where:
Base-Base interactions energy: -1041.735
where: short stacking energy: -457.852
Base-Backbone interact. energy: -0.337
local terms energy: -468.880973
where:
bonds (distance) C4'-P energy: -94.331
bonds (distance) P-C4' energy: -89.772
flat angles C4'-P-C4' energy: -105.697
flat angles P-C4'-P energy: -59.828
tors. eta vs tors. theta energy: -119.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1313.745357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.745357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.745357 (E_RNA)
where:
Base-Base interactions energy: -893.917
where: short stacking energy: -384.481
Base-Backbone interact. energy: -3.116
local terms energy: -416.711915
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -85.620
flat angles C4'-P-C4' energy: -110.898
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -88.552
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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1183.713984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.713984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.713984 (E_RNA)
where:
Base-Base interactions energy: -786.544
where: short stacking energy: -333.247
Base-Backbone interact. energy: -1.923
local terms energy: -395.247710
where:
bonds (distance) C4'-P energy: -81.256
bonds (distance) P-C4' energy: -87.630
flat angles C4'-P-C4' energy: -88.029
flat angles P-C4'-P energy: -67.585
tors. eta vs tors. theta energy: -70.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -674.009644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.009644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.009644 (E_RNA)
where:
Base-Base interactions energy: -340.351
where: short stacking energy: -185.836
Base-Backbone interact. energy: 1.243
local terms energy: -334.901065
where:
bonds (distance) C4'-P energy: -104.412
bonds (distance) P-C4' energy: -85.669
flat angles C4'-P-C4' energy: -79.972
flat angles P-C4'-P energy: -53.179
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -431.147835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.147835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.147835 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -124.442
Base-Backbone interact. energy: 3.129
local terms energy: -286.867260
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -97.467
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -51.016
tors. eta vs tors. theta energy: 12.873
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: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1894.781508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.781508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.781508 (E_RNA)
where:
Base-Base interactions energy: -1306.359
where: short stacking energy: -571.645
Base-Backbone interact. energy: -2.505
local terms energy: -585.917566
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -111.515
flat angles C4'-P-C4' energy: -130.099
flat angles P-C4'-P energy: -86.456
tors. eta vs tors. theta energy: -156.387
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1822.533203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.533203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.533203 (E_RNA)
where:
Base-Base interactions energy: -1249.475
where: short stacking energy: -536.141
Base-Backbone interact. energy: -1.473
local terms energy: -571.586123
where:
bonds (distance) C4'-P energy: -93.427
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -133.693
flat angles P-C4'-P energy: -86.052
tors. eta vs tors. theta energy: -152.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1773.856055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.856055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.856055 (E_RNA)
where:
Base-Base interactions energy: -1204.743
where: short stacking energy: -532.473
Base-Backbone interact. energy: -0.602
local terms energy: -568.511484
where:
bonds (distance) C4'-P energy: -98.153
bonds (distance) P-C4' energy: -107.294
flat angles C4'-P-C4' energy: -112.307
flat angles P-C4'-P energy: -91.867
tors. eta vs tors. theta energy: -158.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1664.395790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.395790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.395790 (E_RNA)
where:
Base-Base interactions energy: -1154.840
where: short stacking energy: -503.800
Base-Backbone interact. energy: -0.138
local terms energy: -509.418325
where:
bonds (distance) C4'-P energy: -87.541
bonds (distance) P-C4' energy: -90.613
flat angles C4'-P-C4' energy: -110.696
flat angles P-C4'-P energy: -73.023
tors. eta vs tors. theta energy: -147.545
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: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1603.472609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.472609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.472609 (E_RNA)
where:
Base-Base interactions energy: -1092.168
where: short stacking energy: -465.719
Base-Backbone interact. energy: -3.490
local terms energy: -507.814423
where:
bonds (distance) C4'-P energy: -92.992
bonds (distance) P-C4' energy: -97.097
flat angles C4'-P-C4' energy: -109.259
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -141.053
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: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1494.280029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.280029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.280029 (E_RNA)
where:
Base-Base interactions energy: -996.769
where: short stacking energy: -448.245
Base-Backbone interact. energy: -2.368
local terms energy: -495.143545
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -101.741
flat angles P-C4'-P energy: -74.464
tors. eta vs tors. theta energy: -127.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1353.645071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.645071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.645071 (E_RNA)
where:
Base-Base interactions energy: -909.421
where: short stacking energy: -394.036
Base-Backbone interact. energy: -2.059
local terms energy: -442.164633
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -66.681
tors. eta vs tors. theta energy: -99.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1228.817691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.817691 (E_RNA)
where:
Base-Base interactions energy: -827.150
where: short stacking energy: -347.999
Base-Backbone interact. energy: -3.360
local terms energy: -398.308172
where:
bonds (distance) C4'-P energy: -66.432
bonds (distance) P-C4' energy: -88.486
flat angles C4'-P-C4' energy: -96.570
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -72.386
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: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -747.491079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.491079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.491079 (E_RNA)
where:
Base-Base interactions energy: -405.426
where: short stacking energy: -226.163
Base-Backbone interact. energy: 0.533
local terms energy: -342.597903
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -69.881
flat angles P-C4'-P energy: -64.381
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -435.857907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.857907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.857907 (E_RNA)
where:
Base-Base interactions energy: -154.945
where: short stacking energy: -118.106
Base-Backbone interact. energy: 2.858
local terms energy: -283.771501
where:
bonds (distance) C4'-P energy: -78.252
bonds (distance) P-C4' energy: -92.873
flat angles C4'-P-C4' energy: -80.465
flat angles P-C4'-P energy: -52.493
tors. eta vs tors. theta energy: 20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1900.510200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.510200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.510200 (E_RNA)
where:
Base-Base interactions energy: -1321.259
where: short stacking energy: -571.034
Base-Backbone interact. energy: -3.918
local terms energy: -575.332951
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -130.138
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: -157.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1833.117519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.117519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.117519 (E_RNA)
where:
Base-Base interactions energy: -1248.848
where: short stacking energy: -545.390
Base-Backbone interact. energy: -3.725
local terms energy: -580.545066
where:
bonds (distance) C4'-P energy: -91.777
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -125.112
flat angles P-C4'-P energy: -82.691
tors. eta vs tors. theta energy: -168.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1755.984882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.984882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.984882 (E_RNA)
where:
Base-Base interactions energy: -1204.355
where: short stacking energy: -521.050
Base-Backbone interact. energy: -2.683
local terms energy: -548.947227
where:
bonds (distance) C4'-P energy: -99.441
bonds (distance) P-C4' energy: -103.136
flat angles C4'-P-C4' energy: -125.667
flat angles P-C4'-P energy: -81.039
tors. eta vs tors. theta energy: -139.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1682.202768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.202768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.202768 (E_RNA)
where:
Base-Base interactions energy: -1152.960
where: short stacking energy: -515.931
Base-Backbone interact. energy: -1.522
local terms energy: -527.721145
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -112.108
flat angles P-C4'-P energy: -87.235
tors. eta vs tors. theta energy: -138.871
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1590.781081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.781081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.781081 (E_RNA)
where:
Base-Base interactions energy: -1100.686
where: short stacking energy: -467.635
Base-Backbone interact. energy: -0.698
local terms energy: -489.396817
where:
bonds (distance) C4'-P energy: -83.099
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -116.482
flat angles P-C4'-P energy: -64.927
tors. eta vs tors. theta energy: -132.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1494.622147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.622147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.622147 (E_RNA)
where:
Base-Base interactions energy: -1034.945
where: short stacking energy: -444.241
Base-Backbone interact. energy: -0.049
local terms energy: -459.627337
where:
bonds (distance) C4'-P energy: -77.966
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -105.773
flat angles P-C4'-P energy: -69.222
tors. eta vs tors. theta energy: -121.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1351.999313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.999313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.999313 (E_RNA)
where:
Base-Base interactions energy: -915.952
where: short stacking energy: -387.939
Base-Backbone interact. energy: -2.934
local terms energy: -433.113307
where:
bonds (distance) C4'-P energy: -75.334
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -101.071
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -111.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1236.122767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.122767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.122767 (E_RNA)
where:
Base-Base interactions energy: -835.546
where: short stacking energy: -338.443
Base-Backbone interact. energy: -0.266
local terms energy: -400.311002
where:
bonds (distance) C4'-P energy: -97.211
bonds (distance) P-C4' energy: -96.750
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -75.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -696.428950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.428950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.428950 (E_RNA)
where:
Base-Base interactions energy: -374.999
where: short stacking energy: -193.744
Base-Backbone interact. energy: 3.651
local terms energy: -325.080676
where:
bonds (distance) C4'-P energy: -93.882
bonds (distance) P-C4' energy: -92.402
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -465.553221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.553221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.553221 (E_RNA)
where:
Base-Base interactions energy: -176.108
where: short stacking energy: -153.455
Base-Backbone interact. energy: 5.868
local terms energy: -295.312848
where:
bonds (distance) C4'-P energy: -77.136
bonds (distance) P-C4' energy: -102.825
flat angles C4'-P-C4' energy: -65.387
flat angles P-C4'-P energy: -51.460
tors. eta vs tors. theta energy: 1.496
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: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1864.574078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.574078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.574078 (E_RNA)
where:
Base-Base interactions energy: -1278.401
where: short stacking energy: -574.018
Base-Backbone interact. energy: -1.895
local terms energy: -584.278324
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -101.600
flat angles C4'-P-C4' energy: -125.391
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -171.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1844.315703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.315703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.315703 (E_RNA)
where:
Base-Base interactions energy: -1257.974
where: short stacking energy: -552.464
Base-Backbone interact. energy: -3.111
local terms energy: -583.231004
where:
bonds (distance) C4'-P energy: -103.549
bonds (distance) P-C4' energy: -99.431
flat angles C4'-P-C4' energy: -125.470
flat angles P-C4'-P energy: -83.324
tors. eta vs tors. theta energy: -171.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1753.245040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.245040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.245040 (E_RNA)
where:
Base-Base interactions energy: -1191.332
where: short stacking energy: -537.268
Base-Backbone interact. energy: -2.047
local terms energy: -559.866254
where:
bonds (distance) C4'-P energy: -98.854
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -114.097
flat angles P-C4'-P energy: -83.769
tors. eta vs tors. theta energy: -161.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1663.019513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.019513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.019513 (E_RNA)
where:
Base-Base interactions energy: -1143.222
where: short stacking energy: -527.470
Base-Backbone interact. energy: -2.984
local terms energy: -516.814000
where:
bonds (distance) C4'-P energy: -76.565
bonds (distance) P-C4' energy: -106.060
flat angles C4'-P-C4' energy: -112.992
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -146.214
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: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1570.020153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.020153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.020153 (E_RNA)
where:
Base-Base interactions energy: -1064.488
where: short stacking energy: -445.523
Base-Backbone interact. energy: 0.046
local terms energy: -505.578008
where:
bonds (distance) C4'-P energy: -106.254
bonds (distance) P-C4' energy: -104.581
flat angles C4'-P-C4' energy: -102.955
flat angles P-C4'-P energy: -69.270
tors. eta vs tors. theta energy: -122.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1510.689888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.689888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.689888 (E_RNA)
where:
Base-Base interactions energy: -1037.951
where: short stacking energy: -445.639
Base-Backbone interact. energy: -1.623
local terms energy: -471.115289
where:
bonds (distance) C4'-P energy: -73.094
bonds (distance) P-C4' energy: -101.113
flat angles C4'-P-C4' energy: -103.320
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -130.319
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: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1299.761127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.761127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.761127 (E_RNA)
where:
Base-Base interactions energy: -845.129
where: short stacking energy: -387.740
Base-Backbone interact. energy: -0.106
local terms energy: -454.525978
where:
bonds (distance) C4'-P energy: -95.824
bonds (distance) P-C4' energy: -90.451
flat angles C4'-P-C4' energy: -107.067
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -100.974
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: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1214.041398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.041398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.041398 (E_RNA)
where:
Base-Base interactions energy: -833.401
where: short stacking energy: -348.766
Base-Backbone interact. energy: 0.023
local terms energy: -380.663575
where:
bonds (distance) C4'-P energy: -72.768
bonds (distance) P-C4' energy: -75.623
flat angles C4'-P-C4' energy: -91.685
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -83.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -682.704675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.704675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.704675 (E_RNA)
where:
Base-Base interactions energy: -354.055
where: short stacking energy: -164.563
Base-Backbone interact. energy: 4.219
local terms energy: -332.868606
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -89.241
flat angles C4'-P-C4' energy: -78.633
flat angles P-C4'-P energy: -60.808
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -437.172151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.172151 (E_RNA)
where:
Base-Base interactions energy: -190.530
where: short stacking energy: -135.935
Base-Backbone interact. energy: 3.876
local terms energy: -250.518485
where:
bonds (distance) C4'-P energy: -67.203
bonds (distance) P-C4' energy: -96.240
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: 12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1860.394035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.394035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.394035 (E_RNA)
where:
Base-Base interactions energy: -1282.024
where: short stacking energy: -553.430
Base-Backbone interact. energy: 2.177
local terms energy: -580.547245
where:
bonds (distance) C4'-P energy: -108.803
bonds (distance) P-C4' energy: -112.988
flat angles C4'-P-C4' energy: -119.428
flat angles P-C4'-P energy: -76.895
tors. eta vs tors. theta energy: -162.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1814.348880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.348880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.348880 (E_RNA)
where:
Base-Base interactions energy: -1232.611
where: short stacking energy: -543.432
Base-Backbone interact. energy: -0.791
local terms energy: -580.946879
where:
bonds (distance) C4'-P energy: -106.831
bonds (distance) P-C4' energy: -109.297
flat angles C4'-P-C4' energy: -119.862
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -160.585
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: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1753.652717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.652717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.652717 (E_RNA)
where:
Base-Base interactions energy: -1192.733
where: short stacking energy: -524.292
Base-Backbone interact. energy: 0.792
local terms energy: -561.711632
where:
bonds (distance) C4'-P energy: -105.494
bonds (distance) P-C4' energy: -98.004
flat angles C4'-P-C4' energy: -120.743
flat angles P-C4'-P energy: -79.570
tors. eta vs tors. theta energy: -157.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1668.422568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.422568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.422568 (E_RNA)
where:
Base-Base interactions energy: -1144.492
where: short stacking energy: -510.715
Base-Backbone interact. energy: -0.913
local terms energy: -523.018438
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -90.263
flat angles C4'-P-C4' energy: -111.694
flat angles P-C4'-P energy: -70.052
tors. eta vs tors. theta energy: -147.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1593.496359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.496359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.496359 (E_RNA)
where:
Base-Base interactions energy: -1071.274
where: short stacking energy: -485.194
Base-Backbone interact. energy: -0.445
local terms energy: -521.777363
where:
bonds (distance) C4'-P energy: -100.854
bonds (distance) P-C4' energy: -97.540
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -64.123
tors. eta vs tors. theta energy: -141.615
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: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1523.596737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.596737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.596737 (E_RNA)
where:
Base-Base interactions energy: -1051.768
where: short stacking energy: -427.185
Base-Backbone interact. energy: 0.499
local terms energy: -472.328083
where:
bonds (distance) C4'-P energy: -75.815
bonds (distance) P-C4' energy: -93.255
flat angles C4'-P-C4' energy: -106.316
flat angles P-C4'-P energy: -89.356
tors. eta vs tors. theta energy: -107.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1336.089432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.089432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.089432 (E_RNA)
where:
Base-Base interactions energy: -903.131
where: short stacking energy: -377.482
Base-Backbone interact. energy: 0.887
local terms energy: -433.845577
where:
bonds (distance) C4'-P energy: -95.750
bonds (distance) P-C4' energy: -92.210
flat angles C4'-P-C4' energy: -89.663
flat angles P-C4'-P energy: -68.233
tors. eta vs tors. theta energy: -87.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1191.725028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.725028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.725028 (E_RNA)
where:
Base-Base interactions energy: -799.238
where: short stacking energy: -344.230
Base-Backbone interact. energy: -3.849
local terms energy: -388.638492
where:
bonds (distance) C4'-P energy: -71.744
bonds (distance) P-C4' energy: -97.609
flat angles C4'-P-C4' energy: -93.144
flat angles P-C4'-P energy: -53.828
tors. eta vs tors. theta energy: -72.313
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: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -659.329799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.329799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.329799 (E_RNA)
where:
Base-Base interactions energy: -352.510
where: short stacking energy: -188.264
Base-Backbone interact. energy: 1.178
local terms energy: -307.997941
where:
bonds (distance) C4'-P energy: -80.219
bonds (distance) P-C4' energy: -97.600
flat angles C4'-P-C4' energy: -78.863
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -427.766611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.766611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.766611 (E_RNA)
where:
Base-Base interactions energy: -159.239
where: short stacking energy: -140.332
Base-Backbone interact. energy: -2.192
local terms energy: -266.335493
where:
bonds (distance) C4'-P energy: -77.457
bonds (distance) P-C4' energy: -84.464
flat angles C4'-P-C4' energy: -90.767
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: 14.718
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: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1884.982429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.982429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.982429 (E_RNA)
where:
Base-Base interactions energy: -1280.023
where: short stacking energy: -555.168
Base-Backbone interact. energy: -2.729
local terms energy: -602.231005
where:
bonds (distance) C4'-P energy: -110.089
bonds (distance) P-C4' energy: -115.557
flat angles C4'-P-C4' energy: -130.021
flat angles P-C4'-P energy: -85.620
tors. eta vs tors. theta energy: -160.944
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: 403
Temperature: 0.950000
Total energy: -1816.912655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.912655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.912655 (E_RNA)
where:
Base-Base interactions energy: -1231.069
where: short stacking energy: -563.296
Base-Backbone interact. energy: -2.390
local terms energy: -583.453371
where:
bonds (distance) C4'-P energy: -112.811
bonds (distance) P-C4' energy: -111.911
flat angles C4'-P-C4' energy: -124.977
flat angles P-C4'-P energy: -76.399
tors. eta vs tors. theta energy: -157.355
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: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1727.734824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.734824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.734824 (E_RNA)
where:
Base-Base interactions energy: -1190.721
where: short stacking energy: -516.632
Base-Backbone interact. energy: -0.558
local terms energy: -536.456052
where:
bonds (distance) C4'-P energy: -94.329
bonds (distance) P-C4' energy: -102.388
flat angles C4'-P-C4' energy: -125.268
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -146.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1652.298364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.298364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.298364 (E_RNA)
where:
Base-Base interactions energy: -1104.438
where: short stacking energy: -495.277
Base-Backbone interact. energy: -1.684
local terms energy: -546.176746
where:
bonds (distance) C4'-P energy: -110.820
bonds (distance) P-C4' energy: -103.911
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -65.569
tors. eta vs tors. theta energy: -143.572
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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1616.642860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.642860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.642860 (E_RNA)
where:
Base-Base interactions energy: -1095.636
where: short stacking energy: -483.437
Base-Backbone interact. energy: 2.132
local terms energy: -523.139418
where:
bonds (distance) C4'-P energy: -100.227
bonds (distance) P-C4' energy: -98.156
flat angles C4'-P-C4' energy: -110.297
flat angles P-C4'-P energy: -77.547
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: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1604.978075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.978075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.978075 (E_RNA)
where:
Base-Base interactions energy: -1105.449
where: short stacking energy: -469.222
Base-Backbone interact. energy: -0.690
local terms energy: -498.839016
where:
bonds (distance) C4'-P energy: -92.135
bonds (distance) P-C4' energy: -92.057
flat angles C4'-P-C4' energy: -109.019
flat angles P-C4'-P energy: -72.615
tors. eta vs tors. theta energy: -133.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1333.873880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.873880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.873880 (E_RNA)
where:
Base-Base interactions energy: -889.152
where: short stacking energy: -393.177
Base-Backbone interact. energy: -2.002
local terms energy: -442.719938
where:
bonds (distance) C4'-P energy: -88.334
bonds (distance) P-C4' energy: -93.218
flat angles C4'-P-C4' energy: -87.680
flat angles P-C4'-P energy: -73.934
tors. eta vs tors. theta energy: -99.554
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: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1227.100886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.100886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.100886 (E_RNA)
where:
Base-Base interactions energy: -845.950
where: short stacking energy: -374.300
Base-Backbone interact. energy: 1.675
local terms energy: -382.825817
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -80.595
flat angles C4'-P-C4' energy: -93.347
flat angles P-C4'-P energy: -53.875
tors. eta vs tors. theta energy: -78.407
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: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -704.260854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.260854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.260854 (E_RNA)
where:
Base-Base interactions energy: -385.136
where: short stacking energy: -177.376
Base-Backbone interact. energy: -0.171
local terms energy: -318.954184
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -81.985
flat angles C4'-P-C4' energy: -91.642
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -455.848808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.848808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.848808 (E_RNA)
where:
Base-Base interactions energy: -198.084
where: short stacking energy: -128.240
Base-Backbone interact. energy: -2.766
local terms energy: -254.998416
where:
bonds (distance) C4'-P energy: -60.352
bonds (distance) P-C4' energy: -104.107
flat angles C4'-P-C4' energy: -86.704
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: 33.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1867.597382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.597382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.597382 (E_RNA)
where:
Base-Base interactions energy: -1281.549
where: short stacking energy: -558.931
Base-Backbone interact. energy: 0.139
local terms energy: -586.187460
where:
bonds (distance) C4'-P energy: -108.368
bonds (distance) P-C4' energy: -106.615
flat angles C4'-P-C4' energy: -128.718
flat angles P-C4'-P energy: -78.931
tors. eta vs tors. theta energy: -163.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1813.801498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.801498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.801498 (E_RNA)
where:
Base-Base interactions energy: -1213.320
where: short stacking energy: -529.650
Base-Backbone interact. energy: -4.235
local terms energy: -596.246968
where:
bonds (distance) C4'-P energy: -106.726
bonds (distance) P-C4' energy: -116.282
flat angles C4'-P-C4' energy: -126.927
flat angles P-C4'-P energy: -80.273
tors. eta vs tors. theta energy: -166.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1762.623682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.623682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.623682 (E_RNA)
where:
Base-Base interactions energy: -1206.797
where: short stacking energy: -524.187
Base-Backbone interact. energy: -0.395
local terms energy: -555.430835
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -112.441
flat angles C4'-P-C4' energy: -115.421
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -157.290
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: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1664.399472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.399472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.399472 (E_RNA)
where:
Base-Base interactions energy: -1144.713
where: short stacking energy: -507.950
Base-Backbone interact. energy: -1.256
local terms energy: -518.430220
where:
bonds (distance) C4'-P energy: -91.663
bonds (distance) P-C4' energy: -92.943
flat angles C4'-P-C4' energy: -112.253
flat angles P-C4'-P energy: -76.146
tors. eta vs tors. theta energy: -145.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1588.134861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.134861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.134861 (E_RNA)
where:
Base-Base interactions energy: -1061.324
where: short stacking energy: -461.250
Base-Backbone interact. energy: -0.078
local terms energy: -526.732814
where:
bonds (distance) C4'-P energy: -103.119
bonds (distance) P-C4' energy: -101.336
flat angles C4'-P-C4' energy: -117.806
flat angles P-C4'-P energy: -77.570
tors. eta vs tors. theta energy: -126.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1599.104568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.104568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.104568 (E_RNA)
where:
Base-Base interactions energy: -1079.758
where: short stacking energy: -470.752
Base-Backbone interact. energy: -0.031
local terms energy: -519.316211
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -98.095
flat angles C4'-P-C4' energy: -110.966
flat angles P-C4'-P energy: -70.151
tors. eta vs tors. theta energy: -142.276
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: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1285.274494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.274494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.274494 (E_RNA)
where:
Base-Base interactions energy: -862.248
where: short stacking energy: -370.698
Base-Backbone interact. energy: 0.509
local terms energy: -423.535799
where:
bonds (distance) C4'-P energy: -90.454
bonds (distance) P-C4' energy: -80.993
flat angles C4'-P-C4' energy: -111.586
flat angles P-C4'-P energy: -58.984
tors. eta vs tors. theta energy: -81.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1355.904533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.904533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.904533 (E_RNA)
where:
Base-Base interactions energy: -919.291
where: short stacking energy: -394.190
Base-Backbone interact. energy: 0.694
local terms energy: -437.307673
where:
bonds (distance) C4'-P energy: -88.943
bonds (distance) P-C4' energy: -67.470
flat angles C4'-P-C4' energy: -96.878
flat angles P-C4'-P energy: -79.012
tors. eta vs tors. theta energy: -105.004
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: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -750.966005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.966005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.966005 (E_RNA)
where:
Base-Base interactions energy: -419.379
where: short stacking energy: -232.644
Base-Backbone interact. energy: 0.588
local terms energy: -332.174787
where:
bonds (distance) C4'-P energy: -101.089
bonds (distance) P-C4' energy: -89.097
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -37.225
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -439.965539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.965539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.965539 (E_RNA)
where:
Base-Base interactions energy: -153.100
where: short stacking energy: -117.428
Base-Backbone interact. energy: -0.799
local terms energy: -286.066780
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -89.033
flat angles C4'-P-C4' energy: -75.369
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: 13.945
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: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1846.175231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.175231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.175231 (E_RNA)
where:
Base-Base interactions energy: -1255.929
where: short stacking energy: -565.410
Base-Backbone interact. energy: -2.972
local terms energy: -587.274404
where:
bonds (distance) C4'-P energy: -106.558
bonds (distance) P-C4' energy: -110.305
flat angles C4'-P-C4' energy: -121.926
flat angles P-C4'-P energy: -86.163
tors. eta vs tors. theta energy: -162.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1807.132152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.132152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.132152 (E_RNA)
where:
Base-Base interactions energy: -1224.185
where: short stacking energy: -557.576
Base-Backbone interact. energy: -3.078
local terms energy: -579.869250
where:
bonds (distance) C4'-P energy: -106.433
bonds (distance) P-C4' energy: -103.033
flat angles C4'-P-C4' energy: -122.933
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -167.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1796.993550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.993550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.993550 (E_RNA)
where:
Base-Base interactions energy: -1236.694
where: short stacking energy: -522.080
Base-Backbone interact. energy: -2.078
local terms energy: -558.221482
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -112.702
flat angles P-C4'-P energy: -87.096
tors. eta vs tors. theta energy: -157.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1669.846649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.846649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.846649 (E_RNA)
where:
Base-Base interactions energy: -1143.175
where: short stacking energy: -506.449
Base-Backbone interact. energy: -2.131
local terms energy: -524.540236
where:
bonds (distance) C4'-P energy: -95.450
bonds (distance) P-C4' energy: -89.405
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -79.019
tors. eta vs tors. theta energy: -147.054
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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1611.670508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.670508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.670508 (E_RNA)
where:
Base-Base interactions energy: -1097.765
where: short stacking energy: -472.783
Base-Backbone interact. energy: -1.750
local terms energy: -512.155697
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -110.415
flat angles P-C4'-P energy: -75.839
tors. eta vs tors. theta energy: -130.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1569.895072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.895072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.895072 (E_RNA)
where:
Base-Base interactions energy: -1052.504
where: short stacking energy: -457.294
Base-Backbone interact. energy: -0.625
local terms energy: -516.766527
where:
bonds (distance) C4'-P energy: -97.949
bonds (distance) P-C4' energy: -95.242
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -77.273
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: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1268.783050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.783050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.783050 (E_RNA)
where:
Base-Base interactions energy: -813.428
where: short stacking energy: -364.695
Base-Backbone interact. energy: 2.175
local terms energy: -457.529660
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -95.128
flat angles C4'-P-C4' energy: -96.259
flat angles P-C4'-P energy: -67.950
tors. eta vs tors. theta energy: -99.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1322.918227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.918227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.918227 (E_RNA)
where:
Base-Base interactions energy: -897.553
where: short stacking energy: -378.103
Base-Backbone interact. energy: -0.824
local terms energy: -424.541031
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -79.907
flat angles C4'-P-C4' energy: -105.658
flat angles P-C4'-P energy: -67.573
tors. eta vs tors. theta energy: -95.629
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: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -690.620346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.620346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.620346 (E_RNA)
where:
Base-Base interactions energy: -391.259
where: short stacking energy: -210.819
Base-Backbone interact. energy: -1.879
local terms energy: -297.482352
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -77.172
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -402.525203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.525203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.525203 (E_RNA)
where:
Base-Base interactions energy: -130.882
where: short stacking energy: -122.593
Base-Backbone interact. energy: -1.839
local terms energy: -269.804683
where:
bonds (distance) C4'-P energy: -96.961
bonds (distance) P-C4' energy: -89.726
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -51.527
tors. eta vs tors. theta energy: 20.671
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: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1837.801982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.801982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.801982 (E_RNA)
where:
Base-Base interactions energy: -1245.341
where: short stacking energy: -551.691
Base-Backbone interact. energy: -3.531
local terms energy: -588.930147
where:
bonds (distance) C4'-P energy: -106.737
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -125.485
flat angles P-C4'-P energy: -88.422
tors. eta vs tors. theta energy: -161.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1832.047303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.047303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.047303 (E_RNA)
where:
Base-Base interactions energy: -1275.156
where: short stacking energy: -563.898
Base-Backbone interact. energy: -3.162
local terms energy: -553.729188
where:
bonds (distance) C4'-P energy: -93.164
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -120.902
flat angles P-C4'-P energy: -88.311
tors. eta vs tors. theta energy: -159.973
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1761.295935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.295935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.295935 (E_RNA)
where:
Base-Base interactions energy: -1214.548
where: short stacking energy: -518.203
Base-Backbone interact. energy: -2.801
local terms energy: -543.947538
where:
bonds (distance) C4'-P energy: -86.588
bonds (distance) P-C4' energy: -109.254
flat angles C4'-P-C4' energy: -119.316
flat angles P-C4'-P energy: -76.979
tors. eta vs tors. theta energy: -151.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1683.539947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.539947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.539947 (E_RNA)
where:
Base-Base interactions energy: -1148.939
where: short stacking energy: -521.970
Base-Backbone interact. energy: -1.293
local terms energy: -533.308588
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -87.163
flat angles C4'-P-C4' energy: -110.336
flat angles P-C4'-P energy: -78.124
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: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1614.357963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.357963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.357963 (E_RNA)
where:
Base-Base interactions energy: -1095.741
where: short stacking energy: -465.428
Base-Backbone interact. energy: -2.331
local terms energy: -516.286095
where:
bonds (distance) C4'-P energy: -98.022
bonds (distance) P-C4' energy: -102.803
flat angles C4'-P-C4' energy: -104.588
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -129.367
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1557.698368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.698368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.698368 (E_RNA)
where:
Base-Base interactions energy: -1074.760
where: short stacking energy: -477.839
Base-Backbone interact. energy: -1.010
local terms energy: -481.928512
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -87.450
flat angles C4'-P-C4' energy: -109.507
flat angles P-C4'-P energy: -60.715
tors. eta vs tors. theta energy: -131.119
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: 406
Temperature: 1.200000
Total energy: -1380.757881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.757881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.757881 (E_RNA)
where:
Base-Base interactions energy: -937.881
where: short stacking energy: -405.772
Base-Backbone interact. energy: -0.464
local terms energy: -442.412959
where:
bonds (distance) C4'-P energy: -85.890
bonds (distance) P-C4' energy: -99.099
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -100.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1217.115740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.115740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.115740 (E_RNA)
where:
Base-Base interactions energy: -811.756
where: short stacking energy: -364.471
Base-Backbone interact. energy: -0.776
local terms energy: -404.583391
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -93.349
flat angles C4'-P-C4' energy: -83.343
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -85.878
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -721.504939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.504939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.504939 (E_RNA)
where:
Base-Base interactions energy: -380.629
where: short stacking energy: -217.860
Base-Backbone interact. energy: 1.076
local terms energy: -341.951878
where:
bonds (distance) C4'-P energy: -86.030
bonds (distance) P-C4' energy: -92.513
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -62.058
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -420.446779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.446779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.446779 (E_RNA)
where:
Base-Base interactions energy: -155.800
where: short stacking energy: -126.379
Base-Backbone interact. energy: 3.000
local terms energy: -267.646461
where:
bonds (distance) C4'-P energy: -69.333
bonds (distance) P-C4' energy: -92.299
flat angles C4'-P-C4' energy: -86.452
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: 9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1872.414184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.414184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.414184 (E_RNA)
where:
Base-Base interactions energy: -1278.516
where: short stacking energy: -553.895
Base-Backbone interact. energy: -1.909
local terms energy: -591.989043
where:
bonds (distance) C4'-P energy: -98.159
bonds (distance) P-C4' energy: -104.873
flat angles C4'-P-C4' energy: -128.327
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -169.492
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: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1833.779499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.779499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.779499 (E_RNA)
where:
Base-Base interactions energy: -1268.843
where: short stacking energy: -542.164
Base-Backbone interact. energy: 2.980
local terms energy: -567.916230
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -100.252
flat angles C4'-P-C4' energy: -117.480
flat angles P-C4'-P energy: -89.794
tors. eta vs tors. theta energy: -152.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1774.429469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.429469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.429469 (E_RNA)
where:
Base-Base interactions energy: -1212.886
where: short stacking energy: -541.113
Base-Backbone interact. energy: -3.318
local terms energy: -558.226084
where:
bonds (distance) C4'-P energy: -100.973
bonds (distance) P-C4' energy: -94.121
flat angles C4'-P-C4' energy: -109.935
flat angles P-C4'-P energy: -85.872
tors. eta vs tors. theta energy: -167.326
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1671.855525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.855525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.855525 (E_RNA)
where:
Base-Base interactions energy: -1134.883
where: short stacking energy: -495.837
Base-Backbone interact. energy: -0.336
local terms energy: -536.636508
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -120.372
flat angles P-C4'-P energy: -68.437
tors. eta vs tors. theta energy: -156.711
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: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1577.621269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.621269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.621269 (E_RNA)
where:
Base-Base interactions energy: -1058.575
where: short stacking energy: -459.075
Base-Backbone interact. energy: 1.921
local terms energy: -520.967235
where:
bonds (distance) C4'-P energy: -90.257
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -108.578
flat angles P-C4'-P energy: -85.416
tors. eta vs tors. theta energy: -136.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1575.102063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.102063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.102063 (E_RNA)
where:
Base-Base interactions energy: -1067.616
where: short stacking energy: -445.640
Base-Backbone interact. energy: 0.949
local terms energy: -508.435545
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -111.820
flat angles P-C4'-P energy: -67.088
tors. eta vs tors. theta energy: -129.051
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: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1329.604699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.604699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.604699 (E_RNA)
where:
Base-Base interactions energy: -887.140
where: short stacking energy: -400.159
Base-Backbone interact. energy: -1.162
local terms energy: -441.302271
where:
bonds (distance) C4'-P energy: -90.102
bonds (distance) P-C4' energy: -98.372
flat angles C4'-P-C4' energy: -114.329
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1256.438971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.438971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.438971 (E_RNA)
where:
Base-Base interactions energy: -846.655
where: short stacking energy: -373.890
Base-Backbone interact. energy: -0.282
local terms energy: -409.501894
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -96.156
flat angles C4'-P-C4' energy: -94.387
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -87.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -699.077507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.077507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.077507 (E_RNA)
where:
Base-Base interactions energy: -370.133
where: short stacking energy: -216.423
Base-Backbone interact. energy: -0.305
local terms energy: -328.640126
where:
bonds (distance) C4'-P energy: -91.206
bonds (distance) P-C4' energy: -94.533
flat angles C4'-P-C4' energy: -81.320
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -468.061034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.061034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.061034 (E_RNA)
where:
Base-Base interactions energy: -171.714
where: short stacking energy: -142.881
Base-Backbone interact. energy: -1.300
local terms energy: -295.046108
where:
bonds (distance) C4'-P energy: -79.613
bonds (distance) P-C4' energy: -94.943
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1872.442955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.442955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.442955 (E_RNA)
where:
Base-Base interactions energy: -1308.126
where: short stacking energy: -540.334
Base-Backbone interact. energy: -0.390
local terms energy: -563.926588
where:
bonds (distance) C4'-P energy: -104.532
bonds (distance) P-C4' energy: -110.829
flat angles C4'-P-C4' energy: -113.014
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -159.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1802.223471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.223471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.223471 (E_RNA)
where:
Base-Base interactions energy: -1208.274
where: short stacking energy: -554.227
Base-Backbone interact. energy: 0.316
local terms energy: -594.265376
where:
bonds (distance) C4'-P energy: -108.190
bonds (distance) P-C4' energy: -103.339
flat angles C4'-P-C4' energy: -125.934
flat angles P-C4'-P energy: -94.367
tors. eta vs tors. theta energy: -162.434
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1743.203928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.203928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.203928 (E_RNA)
where:
Base-Base interactions energy: -1214.012
where: short stacking energy: -532.244
Base-Backbone interact. energy: -1.851
local terms energy: -527.340796
where:
bonds (distance) C4'-P energy: -93.325
bonds (distance) P-C4' energy: -100.982
flat angles C4'-P-C4' energy: -116.246
flat angles P-C4'-P energy: -73.255
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1679.543305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.543305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.543305 (E_RNA)
where:
Base-Base interactions energy: -1158.057
where: short stacking energy: -495.634
Base-Backbone interact. energy: -3.693
local terms energy: -517.793495
where:
bonds (distance) C4'-P energy: -87.721
bonds (distance) P-C4' energy: -83.876
flat angles C4'-P-C4' energy: -106.883
flat angles P-C4'-P energy: -88.695
tors. eta vs tors. theta energy: -150.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1570.476652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.476652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.476652 (E_RNA)
where:
Base-Base interactions energy: -1057.554
where: short stacking energy: -452.728
Base-Backbone interact. energy: -2.348
local terms energy: -510.574532
where:
bonds (distance) C4'-P energy: -93.473
bonds (distance) P-C4' energy: -97.746
flat angles C4'-P-C4' energy: -111.165
flat angles P-C4'-P energy: -81.493
tors. eta vs tors. theta energy: -126.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1542.327058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.327058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.327058 (E_RNA)
where:
Base-Base interactions energy: -1031.624
where: short stacking energy: -445.356
Base-Backbone interact. energy: 0.203
local terms energy: -510.905848
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -99.493
flat angles C4'-P-C4' energy: -109.350
flat angles P-C4'-P energy: -70.993
tors. eta vs tors. theta energy: -132.063
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: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1353.526274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.526274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.526274 (E_RNA)
where:
Base-Base interactions energy: -899.198
where: short stacking energy: -371.866
Base-Backbone interact. energy: 1.991
local terms energy: -456.319499
where:
bonds (distance) C4'-P energy: -103.251
bonds (distance) P-C4' energy: -100.708
flat angles C4'-P-C4' energy: -88.970
flat angles P-C4'-P energy: -72.804
tors. eta vs tors. theta energy: -90.587
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: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1218.601674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.601674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.601674 (E_RNA)
where:
Base-Base interactions energy: -800.052
where: short stacking energy: -357.782
Base-Backbone interact. energy: -1.476
local terms energy: -417.072783
where:
bonds (distance) C4'-P energy: -86.508
bonds (distance) P-C4' energy: -86.735
flat angles C4'-P-C4' energy: -99.093
flat angles P-C4'-P energy: -63.296
tors. eta vs tors. theta energy: -81.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -676.818171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.818171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.818171 (E_RNA)
where:
Base-Base interactions energy: -379.040
where: short stacking energy: -206.811
Base-Backbone interact. energy: -0.258
local terms energy: -297.520262
where:
bonds (distance) C4'-P energy: -61.941
bonds (distance) P-C4' energy: -93.869
flat angles C4'-P-C4' energy: -89.394
flat angles P-C4'-P energy: -30.795
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -474.958198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.958198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.958198 (E_RNA)
where:
Base-Base interactions energy: -217.790
where: short stacking energy: -156.006
Base-Backbone interact. energy: -0.131
local terms energy: -257.037145
where:
bonds (distance) C4'-P energy: -90.373
bonds (distance) P-C4' energy: -82.769
flat angles C4'-P-C4' energy: -86.526
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: 12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1874.044373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.044373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.044373 (E_RNA)
where:
Base-Base interactions energy: -1275.667
where: short stacking energy: -555.084
Base-Backbone interact. energy: -2.897
local terms energy: -595.480411
where:
bonds (distance) C4'-P energy: -105.512
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -120.828
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -166.171
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: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1810.560528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.560528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.560528 (E_RNA)
where:
Base-Base interactions energy: -1251.581
where: short stacking energy: -544.026
Base-Backbone interact. energy: -1.928
local terms energy: -557.051368
where:
bonds (distance) C4'-P energy: -96.248
bonds (distance) P-C4' energy: -104.883
flat angles C4'-P-C4' energy: -116.172
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -156.166
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: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1782.037720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.037720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.037720 (E_RNA)
where:
Base-Base interactions energy: -1220.804
where: short stacking energy: -506.032
Base-Backbone interact. energy: -3.904
local terms energy: -557.329617
where:
bonds (distance) C4'-P energy: -105.066
bonds (distance) P-C4' energy: -104.323
flat angles C4'-P-C4' energy: -116.397
flat angles P-C4'-P energy: -82.161
tors. eta vs tors. theta energy: -149.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1657.584005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.584005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.584005 (E_RNA)
where:
Base-Base interactions energy: -1121.289
where: short stacking energy: -490.278
Base-Backbone interact. energy: -2.606
local terms energy: -533.688252
where:
bonds (distance) C4'-P energy: -96.087
bonds (distance) P-C4' energy: -99.767
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -79.425
tors. eta vs tors. theta energy: -137.312
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: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1640.483848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.483848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.483848 (E_RNA)
where:
Base-Base interactions energy: -1124.105
where: short stacking energy: -507.425
Base-Backbone interact. energy: 0.735
local terms energy: -517.113385
where:
bonds (distance) C4'-P energy: -96.557
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -117.976
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -142.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1533.659020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.659020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.659020 (E_RNA)
where:
Base-Base interactions energy: -1027.548
where: short stacking energy: -461.026
Base-Backbone interact. energy: -1.866
local terms energy: -504.244921
where:
bonds (distance) C4'-P energy: -97.589
bonds (distance) P-C4' energy: -85.552
flat angles C4'-P-C4' energy: -109.129
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -128.760
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: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1411.032321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.032321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.032321 (E_RNA)
where:
Base-Base interactions energy: -949.999
where: short stacking energy: -392.681
Base-Backbone interact. energy: 0.962
local terms energy: -461.994794
where:
bonds (distance) C4'-P energy: -115.062
bonds (distance) P-C4' energy: -78.246
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -97.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1191.937029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.937029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.937029 (E_RNA)
where:
Base-Base interactions energy: -776.374
where: short stacking energy: -347.322
Base-Backbone interact. energy: -1.218
local terms energy: -414.345304
where:
bonds (distance) C4'-P energy: -83.340
bonds (distance) P-C4' energy: -105.574
flat angles C4'-P-C4' energy: -101.854
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -84.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -667.958978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.958978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.958978 (E_RNA)
where:
Base-Base interactions energy: -351.957
where: short stacking energy: -182.957
Base-Backbone interact. energy: -0.303
local terms energy: -315.699038
where:
bonds (distance) C4'-P energy: -82.929
bonds (distance) P-C4' energy: -98.857
flat angles C4'-P-C4' energy: -78.356
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -9.981
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -439.369857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.369857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.369857 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -110.682
Base-Backbone interact. energy: 6.096
local terms energy: -295.105768
where:
bonds (distance) C4'-P energy: -83.628
bonds (distance) P-C4' energy: -111.815
flat angles C4'-P-C4' energy: -68.576
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: 24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1838.387800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.387800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.387800 (E_RNA)
where:
Base-Base interactions energy: -1243.015
where: short stacking energy: -574.375
Base-Backbone interact. energy: 2.518
local terms energy: -597.891057
where:
bonds (distance) C4'-P energy: -115.216
bonds (distance) P-C4' energy: -101.827
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -81.923
tors. eta vs tors. theta energy: -166.539
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: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1856.771907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.771907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.771907 (E_RNA)
where:
Base-Base interactions energy: -1269.152
where: short stacking energy: -543.694
Base-Backbone interact. energy: -3.379
local terms energy: -584.241051
where:
bonds (distance) C4'-P energy: -103.463
bonds (distance) P-C4' energy: -113.835
flat angles C4'-P-C4' energy: -123.696
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -165.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1775.842122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.842122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.842122 (E_RNA)
where:
Base-Base interactions energy: -1199.613
where: short stacking energy: -510.019
Base-Backbone interact. energy: 1.105
local terms energy: -577.334024
where:
bonds (distance) C4'-P energy: -107.980
bonds (distance) P-C4' energy: -110.775
flat angles C4'-P-C4' energy: -120.823
flat angles P-C4'-P energy: -81.893
tors. eta vs tors. theta energy: -155.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1690.331094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.331094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.331094 (E_RNA)
where:
Base-Base interactions energy: -1164.959
where: short stacking energy: -510.944
Base-Backbone interact. energy: -0.162
local terms energy: -525.209590
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -105.326
flat angles C4'-P-C4' energy: -119.243
flat angles P-C4'-P energy: -62.684
tors. eta vs tors. theta energy: -146.509
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: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1587.832444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.832444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.832444 (E_RNA)
where:
Base-Base interactions energy: -1100.122
where: short stacking energy: -476.625
Base-Backbone interact. energy: 2.862
local terms energy: -490.572414
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -87.024
flat angles C4'-P-C4' energy: -110.561
flat angles P-C4'-P energy: -63.374
tors. eta vs tors. theta energy: -136.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1510.796052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.796052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.796052 (E_RNA)
where:
Base-Base interactions energy: -1010.099
where: short stacking energy: -457.817
Base-Backbone interact. energy: -3.139
local terms energy: -497.557657
where:
bonds (distance) C4'-P energy: -91.935
bonds (distance) P-C4' energy: -101.397
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -67.255
tors. eta vs tors. theta energy: -128.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1437.366471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.366471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.366471 (E_RNA)
where:
Base-Base interactions energy: -957.593
where: short stacking energy: -425.175
Base-Backbone interact. energy: -3.246
local terms energy: -476.527682
where:
bonds (distance) C4'-P energy: -100.014
bonds (distance) P-C4' energy: -98.844
flat angles C4'-P-C4' energy: -93.925
flat angles P-C4'-P energy: -66.281
tors. eta vs tors. theta energy: -117.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1164.578534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.578534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.578534 (E_RNA)
where:
Base-Base interactions energy: -777.481
where: short stacking energy: -320.550
Base-Backbone interact. energy: -1.298
local terms energy: -385.799606
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -83.970
flat angles C4'-P-C4' energy: -89.618
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -63.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -734.818142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.818142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.818142 (E_RNA)
where:
Base-Base interactions energy: -403.808
where: short stacking energy: -195.721
Base-Backbone interact. energy: 0.450
local terms energy: -331.460020
where:
bonds (distance) C4'-P energy: -88.847
bonds (distance) P-C4' energy: -104.044
flat angles C4'-P-C4' energy: -68.572
flat angles P-C4'-P energy: -58.821
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -413.843987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.843987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.843987 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -128.257
Base-Backbone interact. energy: -0.148
local terms energy: -266.233800
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -91.939
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: 16.383
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: 411
Temperature: 0.900000
Total energy: -1840.282185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.282185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.282185 (E_RNA)
where:
Base-Base interactions energy: -1243.137
where: short stacking energy: -540.037
Base-Backbone interact. energy: -3.811
local terms energy: -593.334368
where:
bonds (distance) C4'-P energy: -116.091
bonds (distance) P-C4' energy: -107.230
flat angles C4'-P-C4' energy: -125.577
flat angles P-C4'-P energy: -92.862
tors. eta vs tors. theta energy: -151.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1820.903118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.903118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.903118 (E_RNA)
where:
Base-Base interactions energy: -1241.269
where: short stacking energy: -545.409
Base-Backbone interact. energy: -2.079
local terms energy: -577.555350
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -112.657
flat angles C4'-P-C4' energy: -118.843
flat angles P-C4'-P energy: -87.032
tors. eta vs tors. theta energy: -151.416
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1762.153039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.153039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.153039 (E_RNA)
where:
Base-Base interactions energy: -1193.768
where: short stacking energy: -515.736
Base-Backbone interact. energy: -4.248
local terms energy: -564.137335
where:
bonds (distance) C4'-P energy: -111.938
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -121.915
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -147.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1669.725526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.725526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.725526 (E_RNA)
where:
Base-Base interactions energy: -1110.668
where: short stacking energy: -505.370
Base-Backbone interact. energy: -4.285
local terms energy: -554.772535
where:
bonds (distance) C4'-P energy: -101.781
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -113.139
flat angles P-C4'-P energy: -81.743
tors. eta vs tors. theta energy: -148.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1582.278433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.278433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.278433 (E_RNA)
where:
Base-Base interactions energy: -1083.234
where: short stacking energy: -485.999
Base-Backbone interact. energy: -0.127
local terms energy: -498.918009
where:
bonds (distance) C4'-P energy: -92.456
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -100.553
flat angles P-C4'-P energy: -73.427
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: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1508.198167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.198167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.198167 (E_RNA)
where:
Base-Base interactions energy: -1014.903
where: short stacking energy: -428.739
Base-Backbone interact. energy: -0.184
local terms energy: -493.111160
where:
bonds (distance) C4'-P energy: -81.828
bonds (distance) P-C4' energy: -105.246
flat angles C4'-P-C4' energy: -118.146
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -124.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1364.030056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.030056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.030056 (E_RNA)
where:
Base-Base interactions energy: -919.002
where: short stacking energy: -401.700
Base-Backbone interact. energy: -2.367
local terms energy: -442.661040
where:
bonds (distance) C4'-P energy: -83.411
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -100.636
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -99.306
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: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1128.134479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.134479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.134479 (E_RNA)
where:
Base-Base interactions energy: -739.468
where: short stacking energy: -308.364
Base-Backbone interact. energy: 0.316
local terms energy: -388.982175
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -101.731
flat angles C4'-P-C4' energy: -74.226
flat angles P-C4'-P energy: -55.024
tors. eta vs tors. theta energy: -71.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -748.565795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.565795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.565795 (E_RNA)
where:
Base-Base interactions energy: -395.301
where: short stacking energy: -203.610
Base-Backbone interact. energy: 1.442
local terms energy: -354.707500
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -101.995
flat angles C4'-P-C4' energy: -94.747
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -415.491650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.491650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.491650 (E_RNA)
where:
Base-Base interactions energy: -150.270
where: short stacking energy: -126.771
Base-Backbone interact. energy: -1.864
local terms energy: -263.356905
where:
bonds (distance) C4'-P energy: -88.488
bonds (distance) P-C4' energy: -99.347
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: 19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1855.076118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.076118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.076118 (E_RNA)
where:
Base-Base interactions energy: -1259.187
where: short stacking energy: -545.249
Base-Backbone interact. energy: -1.692
local terms energy: -594.196871
where:
bonds (distance) C4'-P energy: -110.310
bonds (distance) P-C4' energy: -115.044
flat angles C4'-P-C4' energy: -134.403
flat angles P-C4'-P energy: -82.930
tors. eta vs tors. theta energy: -151.510
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: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1837.137906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.137906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.137906 (E_RNA)
where:
Base-Base interactions energy: -1247.352
where: short stacking energy: -548.166
Base-Backbone interact. energy: -1.672
local terms energy: -588.113726
where:
bonds (distance) C4'-P energy: -112.991
bonds (distance) P-C4' energy: -104.256
flat angles C4'-P-C4' energy: -120.718
flat angles P-C4'-P energy: -83.817
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: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1771.511369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.511369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.511369 (E_RNA)
where:
Base-Base interactions energy: -1212.146
where: short stacking energy: -518.157
Base-Backbone interact. energy: 0.446
local terms energy: -559.810754
where:
bonds (distance) C4'-P energy: -111.283
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -117.856
flat angles P-C4'-P energy: -75.071
tors. eta vs tors. theta energy: -161.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1677.244774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.244774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.244774 (E_RNA)
where:
Base-Base interactions energy: -1145.280
where: short stacking energy: -507.478
Base-Backbone interact. energy: -1.012
local terms energy: -530.952887
where:
bonds (distance) C4'-P energy: -92.667
bonds (distance) P-C4' energy: -98.459
flat angles C4'-P-C4' energy: -112.654
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -147.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1579.794187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.794187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.794187 (E_RNA)
where:
Base-Base interactions energy: -1096.202
where: short stacking energy: -487.168
Base-Backbone interact. energy: 2.590
local terms energy: -486.182700
where:
bonds (distance) C4'-P energy: -94.757
bonds (distance) P-C4' energy: -79.272
flat angles C4'-P-C4' energy: -107.490
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -128.154
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: 412
Temperature: 1.150000
Total energy: -1460.365832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.365832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.365832 (E_RNA)
where:
Base-Base interactions energy: -974.503
where: short stacking energy: -420.299
Base-Backbone interact. energy: -1.264
local terms energy: -484.599214
where:
bonds (distance) C4'-P energy: -107.469
bonds (distance) P-C4' energy: -95.523
flat angles C4'-P-C4' energy: -108.835
flat angles P-C4'-P energy: -68.638
tors. eta vs tors. theta energy: -104.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1341.036777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.036777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.036777 (E_RNA)
where:
Base-Base interactions energy: -894.513
where: short stacking energy: -362.881
Base-Backbone interact. energy: -4.343
local terms energy: -442.180431
where:
bonds (distance) C4'-P energy: -81.928
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -103.247
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -108.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1216.895408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.895408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.895408 (E_RNA)
where:
Base-Base interactions energy: -804.028
where: short stacking energy: -351.396
Base-Backbone interact. energy: 2.828
local terms energy: -415.694839
where:
bonds (distance) C4'-P energy: -84.444
bonds (distance) P-C4' energy: -92.969
flat angles C4'-P-C4' energy: -92.623
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -78.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -699.183225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.183225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.183225 (E_RNA)
where:
Base-Base interactions energy: -383.285
where: short stacking energy: -202.482
Base-Backbone interact. energy: 1.034
local terms energy: -316.931534
where:
bonds (distance) C4'-P energy: -82.337
bonds (distance) P-C4' energy: -93.960
flat angles C4'-P-C4' energy: -75.751
flat angles P-C4'-P energy: -53.943
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -426.926689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.926689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.926689 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -114.258
Base-Backbone interact. energy: 1.494
local terms energy: -286.807612
where:
bonds (distance) C4'-P energy: -68.588
bonds (distance) P-C4' energy: -100.792
flat angles C4'-P-C4' energy: -77.819
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1868.725278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.725278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.725278 (E_RNA)
where:
Base-Base interactions energy: -1256.056
where: short stacking energy: -572.389
Base-Backbone interact. energy: -1.686
local terms energy: -610.983320
where:
bonds (distance) C4'-P energy: -107.676
bonds (distance) P-C4' energy: -110.088
flat angles C4'-P-C4' energy: -126.046
flat angles P-C4'-P energy: -91.642
tors. eta vs tors. theta energy: -175.531
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: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1850.621932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.621932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.621932 (E_RNA)
where:
Base-Base interactions energy: -1265.690
where: short stacking energy: -534.952
Base-Backbone interact. energy: -3.291
local terms energy: -581.640482
where:
bonds (distance) C4'-P energy: -118.394
bonds (distance) P-C4' energy: -102.748
flat angles C4'-P-C4' energy: -120.910
flat angles P-C4'-P energy: -81.517
tors. eta vs tors. theta energy: -158.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1737.633577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.633577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.633577 (E_RNA)
where:
Base-Base interactions energy: -1194.618
where: short stacking energy: -500.888
Base-Backbone interact. energy: 1.111
local terms energy: -544.126796
where:
bonds (distance) C4'-P energy: -103.365
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -121.236
flat angles P-C4'-P energy: -71.221
tors. eta vs tors. theta energy: -144.657
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: 413
Temperature: 1.050000
Total energy: -1673.640525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.640525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.640525 (E_RNA)
where:
Base-Base interactions energy: -1127.821
where: short stacking energy: -512.259
Base-Backbone interact. energy: 0.720
local terms energy: -546.539749
where:
bonds (distance) C4'-P energy: -78.680
bonds (distance) P-C4' energy: -104.530
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -152.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1642.140824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.140824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.140824 (E_RNA)
where:
Base-Base interactions energy: -1124.930
where: short stacking energy: -500.186
Base-Backbone interact. energy: 0.673
local terms energy: -517.883766
where:
bonds (distance) C4'-P energy: -92.116
bonds (distance) P-C4' energy: -87.368
flat angles C4'-P-C4' energy: -111.797
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -146.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1457.470622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.470622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.470622 (E_RNA)
where:
Base-Base interactions energy: -995.574
where: short stacking energy: -435.672
Base-Backbone interact. energy: 3.713
local terms energy: -465.609438
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -102.812
flat angles C4'-P-C4' energy: -97.044
flat angles P-C4'-P energy: -69.075
tors. eta vs tors. theta energy: -108.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1367.113594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.113594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.113594 (E_RNA)
where:
Base-Base interactions energy: -901.365
where: short stacking energy: -378.972
Base-Backbone interact. energy: -0.730
local terms energy: -465.019209
where:
bonds (distance) C4'-P energy: -93.425
bonds (distance) P-C4' energy: -95.442
flat angles C4'-P-C4' energy: -113.450
flat angles P-C4'-P energy: -73.647
tors. eta vs tors. theta energy: -89.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1206.055778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.055778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.055778 (E_RNA)
where:
Base-Base interactions energy: -787.043
where: short stacking energy: -346.995
Base-Backbone interact. energy: 15.180
local terms energy: -434.192826
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -88.927
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -66.114
tors. eta vs tors. theta energy: -79.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -706.474118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.474118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.474118 (E_RNA)
where:
Base-Base interactions energy: -393.169
where: short stacking energy: -219.522
Base-Backbone interact. energy: 1.536
local terms energy: -314.840453
where:
bonds (distance) C4'-P energy: -81.520
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -81.938
flat angles P-C4'-P energy: -44.252
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -455.248470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.248470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.248470 (E_RNA)
where:
Base-Base interactions energy: -163.097
where: short stacking energy: -123.509
Base-Backbone interact. energy: 3.995
local terms energy: -296.146538
where:
bonds (distance) C4'-P energy: -83.506
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -82.614
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: 17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1850.274696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.274696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.274696 (E_RNA)
where:
Base-Base interactions energy: -1268.279
where: short stacking energy: -542.984
Base-Backbone interact. energy: -1.547
local terms energy: -580.449326
where:
bonds (distance) C4'-P energy: -93.719
bonds (distance) P-C4' energy: -114.774
flat angles C4'-P-C4' energy: -128.583
flat angles P-C4'-P energy: -88.813
tors. eta vs tors. theta energy: -154.559
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: 414
Temperature: 0.950000
Total energy: -1833.555502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.555502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.555502 (E_RNA)
where:
Base-Base interactions energy: -1267.246
where: short stacking energy: -565.282
Base-Backbone interact. energy: -3.505
local terms energy: -562.804192
where:
bonds (distance) C4'-P energy: -90.036
bonds (distance) P-C4' energy: -100.040
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -168.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1802.990858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.990858 (E_RNA)
where:
Base-Base interactions energy: -1224.647
where: short stacking energy: -535.349
Base-Backbone interact. energy: -0.329
local terms energy: -578.014637
where:
bonds (distance) C4'-P energy: -107.499
bonds (distance) P-C4' energy: -102.557
flat angles C4'-P-C4' energy: -122.746
flat angles P-C4'-P energy: -89.763
tors. eta vs tors. theta energy: -155.450
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: 414
Temperature: 1.050000
Total energy: -1655.971769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.971769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.971769 (E_RNA)
where:
Base-Base interactions energy: -1125.709
where: short stacking energy: -486.203
Base-Backbone interact. energy: -0.674
local terms energy: -529.588637
where:
bonds (distance) C4'-P energy: -93.429
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -114.940
flat angles P-C4'-P energy: -78.931
tors. eta vs tors. theta energy: -130.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1615.389672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.389672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.389672 (E_RNA)
where:
Base-Base interactions energy: -1100.523
where: short stacking energy: -482.689
Base-Backbone interact. energy: -1.312
local terms energy: -513.555103
where:
bonds (distance) C4'-P energy: -92.290
bonds (distance) P-C4' energy: -107.679
flat angles C4'-P-C4' energy: -103.487
flat angles P-C4'-P energy: -61.084
tors. eta vs tors. theta energy: -149.016
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: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1504.691770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.691770 (E_RNA)
where:
Base-Base interactions energy: -1028.910
where: short stacking energy: -453.015
Base-Backbone interact. energy: -0.386
local terms energy: -475.395859
where:
bonds (distance) C4'-P energy: -75.342
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -111.714
flat angles P-C4'-P energy: -68.124
tors. eta vs tors. theta energy: -117.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1353.551175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.551175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.551175 (E_RNA)
where:
Base-Base interactions energy: -899.630
where: short stacking energy: -399.248
Base-Backbone interact. energy: -0.695
local terms energy: -453.226129
where:
bonds (distance) C4'-P energy: -90.567
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -106.568
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -95.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1199.271765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.271765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.271765 (E_RNA)
where:
Base-Base interactions energy: -776.723
where: short stacking energy: -343.222
Base-Backbone interact. energy: 0.741
local terms energy: -423.289679
where:
bonds (distance) C4'-P energy: -89.327
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -102.375
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -76.751
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -751.892852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.892852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.892852 (E_RNA)
where:
Base-Base interactions energy: -410.254
where: short stacking energy: -194.792
Base-Backbone interact. energy: -2.659
local terms energy: -338.979305
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -75.554
flat angles C4'-P-C4' energy: -85.381
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -475.955617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.955617 (E_RNA)
where:
Base-Base interactions energy: -193.110
where: short stacking energy: -138.612
Base-Backbone interact. energy: 3.384
local terms energy: -286.229273
where:
bonds (distance) C4'-P energy: -80.110
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -75.688
flat angles P-C4'-P energy: -48.034
tors. eta vs tors. theta energy: 8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1846.510976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.510976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.510976 (E_RNA)
where:
Base-Base interactions energy: -1271.840
where: short stacking energy: -542.298
Base-Backbone interact. energy: -0.383
local terms energy: -574.288621
where:
bonds (distance) C4'-P energy: -113.664
bonds (distance) P-C4' energy: -111.610
flat angles C4'-P-C4' energy: -114.189
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -152.427
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1810.871309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.871309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.871309 (E_RNA)
where:
Base-Base interactions energy: -1257.692
where: short stacking energy: -516.000
Base-Backbone interact. energy: -1.143
local terms energy: -552.036039
where:
bonds (distance) C4'-P energy: -86.085
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -120.436
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -149.279
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1758.717634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.717634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.717634 (E_RNA)
where:
Base-Base interactions energy: -1204.220
where: short stacking energy: -508.215
Base-Backbone interact. energy: -3.606
local terms energy: -550.891288
where:
bonds (distance) C4'-P energy: -99.441
bonds (distance) P-C4' energy: -99.980
flat angles C4'-P-C4' energy: -119.807
flat angles P-C4'-P energy: -87.062
tors. eta vs tors. theta energy: -144.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1627.276350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.276350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.276350 (E_RNA)
where:
Base-Base interactions energy: -1104.257
where: short stacking energy: -494.872
Base-Backbone interact. energy: 2.705
local terms energy: -525.725248
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -108.568
flat angles P-C4'-P energy: -79.629
tors. eta vs tors. theta energy: -133.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1634.927893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.927893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.927893 (E_RNA)
where:
Base-Base interactions energy: -1121.353
where: short stacking energy: -479.013
Base-Backbone interact. energy: -2.415
local terms energy: -511.160451
where:
bonds (distance) C4'-P energy: -97.200
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -111.802
flat angles P-C4'-P energy: -68.459
tors. eta vs tors. theta energy: -139.662
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: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1565.204302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.204302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.204302 (E_RNA)
where:
Base-Base interactions energy: -1055.018
where: short stacking energy: -430.641
Base-Backbone interact. energy: 1.517
local terms energy: -511.703137
where:
bonds (distance) C4'-P energy: -100.172
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -116.313
flat angles P-C4'-P energy: -69.610
tors. eta vs tors. theta energy: -128.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1379.276990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.276990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.276990 (E_RNA)
where:
Base-Base interactions energy: -944.597
where: short stacking energy: -382.973
Base-Backbone interact. energy: -0.062
local terms energy: -434.618241
where:
bonds (distance) C4'-P energy: -83.830
bonds (distance) P-C4' energy: -88.838
flat angles C4'-P-C4' energy: -96.840
flat angles P-C4'-P energy: -62.185
tors. eta vs tors. theta energy: -102.925
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1239.887452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.887452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.887452 (E_RNA)
where:
Base-Base interactions energy: -827.184
where: short stacking energy: -349.903
Base-Backbone interact. energy: -1.184
local terms energy: -411.519168
where:
bonds (distance) C4'-P energy: -97.827
bonds (distance) P-C4' energy: -95.819
flat angles C4'-P-C4' energy: -94.230
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -76.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -767.691465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.691465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.691465 (E_RNA)
where:
Base-Base interactions energy: -440.256
where: short stacking energy: -215.763
Base-Backbone interact. energy: -1.085
local terms energy: -326.350064
where:
bonds (distance) C4'-P energy: -73.066
bonds (distance) P-C4' energy: -108.478
flat angles C4'-P-C4' energy: -77.440
flat angles P-C4'-P energy: -46.722
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -419.662391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.662391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.662391 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -127.526
Base-Backbone interact. energy: 4.215
local terms energy: -282.748491
where:
bonds (distance) C4'-P energy: -73.920
bonds (distance) P-C4' energy: -94.796
flat angles C4'-P-C4' energy: -86.500
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: 12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1897.911601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.911601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.911601 (E_RNA)
where:
Base-Base interactions energy: -1289.741
where: short stacking energy: -576.679
Base-Backbone interact. energy: -1.892
local terms energy: -606.278822
where:
bonds (distance) C4'-P energy: -113.264
bonds (distance) P-C4' energy: -105.289
flat angles C4'-P-C4' energy: -129.139
flat angles P-C4'-P energy: -81.877
tors. eta vs tors. theta energy: -176.710
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1827.560081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.560081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.560081 (E_RNA)
where:
Base-Base interactions energy: -1254.003
where: short stacking energy: -550.426
Base-Backbone interact. energy: -0.016
local terms energy: -573.541328
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -115.436
flat angles C4'-P-C4' energy: -124.314
flat angles P-C4'-P energy: -79.123
tors. eta vs tors. theta energy: -148.252
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: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1715.800899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.800899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.800899 (E_RNA)
where:
Base-Base interactions energy: -1169.325
where: short stacking energy: -523.294
Base-Backbone interact. energy: -1.316
local terms energy: -545.160713
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -122.602
flat angles P-C4'-P energy: -75.907
tors. eta vs tors. theta energy: -147.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1718.777615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.777615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.777615 (E_RNA)
where:
Base-Base interactions energy: -1195.308
where: short stacking energy: -516.592
Base-Backbone interact. energy: -0.775
local terms energy: -522.695127
where:
bonds (distance) C4'-P energy: -103.656
bonds (distance) P-C4' energy: -91.666
flat angles C4'-P-C4' energy: -108.258
flat angles P-C4'-P energy: -70.156
tors. eta vs tors. theta energy: -148.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1598.189726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.189726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.189726 (E_RNA)
where:
Base-Base interactions energy: -1073.280
where: short stacking energy: -458.655
Base-Backbone interact. energy: 2.963
local terms energy: -527.872175
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -114.307
flat angles P-C4'-P energy: -86.762
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: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1569.912700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.912700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.912700 (E_RNA)
where:
Base-Base interactions energy: -1079.858
where: short stacking energy: -458.522
Base-Backbone interact. energy: -1.307
local terms energy: -488.748140
where:
bonds (distance) C4'-P energy: -95.427
bonds (distance) P-C4' energy: -96.888
flat angles C4'-P-C4' energy: -119.080
flat angles P-C4'-P energy: -65.902
tors. eta vs tors. theta energy: -111.451
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: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1386.437621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.437621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.437621 (E_RNA)
where:
Base-Base interactions energy: -903.033
where: short stacking energy: -403.092
Base-Backbone interact. energy: 0.275
local terms energy: -483.679371
where:
bonds (distance) C4'-P energy: -97.349
bonds (distance) P-C4' energy: -98.200
flat angles C4'-P-C4' energy: -112.063
flat angles P-C4'-P energy: -67.455
tors. eta vs tors. theta energy: -108.613
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1259.944909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.944909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.944909 (E_RNA)
where:
Base-Base interactions energy: -839.008
where: short stacking energy: -341.551
Base-Backbone interact. energy: -3.719
local terms energy: -417.218503
where:
bonds (distance) C4'-P energy: -75.637
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -102.875
flat angles P-C4'-P energy: -61.821
tors. eta vs tors. theta energy: -81.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -721.670840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.670840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.670840 (E_RNA)
where:
Base-Base interactions energy: -402.927
where: short stacking energy: -211.269
Base-Backbone interact. energy: 1.105
local terms energy: -319.849266
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -83.658
flat angles C4'-P-C4' energy: -70.362
flat angles P-C4'-P energy: -56.203
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -445.832818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.832818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.832818 (E_RNA)
where:
Base-Base interactions energy: -158.581
where: short stacking energy: -150.038
Base-Backbone interact. energy: -1.645
local terms energy: -285.607445
where:
bonds (distance) C4'-P energy: -72.486
bonds (distance) P-C4' energy: -95.849
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: 6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1851.405441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.405441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.405441 (E_RNA)
where:
Base-Base interactions energy: -1258.102
where: short stacking energy: -534.750
Base-Backbone interact. energy: -4.214
local terms energy: -589.089802
where:
bonds (distance) C4'-P energy: -108.921
bonds (distance) P-C4' energy: -111.471
flat angles C4'-P-C4' energy: -121.054
flat angles P-C4'-P energy: -79.892
tors. eta vs tors. theta energy: -167.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1839.120128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.120128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.120128 (E_RNA)
where:
Base-Base interactions energy: -1250.872
where: short stacking energy: -544.501
Base-Backbone interact. energy: 0.388
local terms energy: -588.635992
where:
bonds (distance) C4'-P energy: -107.394
bonds (distance) P-C4' energy: -115.157
flat angles C4'-P-C4' energy: -116.537
flat angles P-C4'-P energy: -84.881
tors. eta vs tors. theta energy: -164.667
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: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1744.740404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.740404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.740404 (E_RNA)
where:
Base-Base interactions energy: -1192.248
where: short stacking energy: -525.246
Base-Backbone interact. energy: -1.682
local terms energy: -550.810453
where:
bonds (distance) C4'-P energy: -98.691
bonds (distance) P-C4' energy: -100.122
flat angles C4'-P-C4' energy: -113.948
flat angles P-C4'-P energy: -82.708
tors. eta vs tors. theta energy: -155.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1696.376216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.376216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.376216 (E_RNA)
where:
Base-Base interactions energy: -1174.615
where: short stacking energy: -509.773
Base-Backbone interact. energy: -1.085
local terms energy: -520.676672
where:
bonds (distance) C4'-P energy: -104.734
bonds (distance) P-C4' energy: -94.573
flat angles C4'-P-C4' energy: -113.985
flat angles P-C4'-P energy: -68.253
tors. eta vs tors. theta energy: -139.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1598.087205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.087205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.087205 (E_RNA)
where:
Base-Base interactions energy: -1104.524
where: short stacking energy: -499.422
Base-Backbone interact. energy: 0.035
local terms energy: -493.598187
where:
bonds (distance) C4'-P energy: -85.483
bonds (distance) P-C4' energy: -92.505
flat angles C4'-P-C4' energy: -109.231
flat angles P-C4'-P energy: -73.097
tors. eta vs tors. theta energy: -133.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1578.930169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.930169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.930169 (E_RNA)
where:
Base-Base interactions energy: -1066.847
where: short stacking energy: -466.782
Base-Backbone interact. energy: 2.670
local terms energy: -514.753576
where:
bonds (distance) C4'-P energy: -102.489
bonds (distance) P-C4' energy: -99.058
flat angles C4'-P-C4' energy: -98.301
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -141.585
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: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1294.793850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.793850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.793850 (E_RNA)
where:
Base-Base interactions energy: -887.749
where: short stacking energy: -376.864
Base-Backbone interact. energy: -0.536
local terms energy: -406.509133
where:
bonds (distance) C4'-P energy: -83.766
bonds (distance) P-C4' energy: -99.692
flat angles C4'-P-C4' energy: -83.640
flat angles P-C4'-P energy: -52.137
tors. eta vs tors. theta energy: -87.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1193.394464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.394464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.394464 (E_RNA)
where:
Base-Base interactions energy: -794.020
where: short stacking energy: -339.365
Base-Backbone interact. energy: -1.974
local terms energy: -397.400345
where:
bonds (distance) C4'-P energy: -81.158
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -50.459
tors. eta vs tors. theta energy: -71.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -785.517528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.517528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.517528 (E_RNA)
where:
Base-Base interactions energy: -428.680
where: short stacking energy: -238.863
Base-Backbone interact. energy: 0.607
local terms energy: -357.444657
where:
bonds (distance) C4'-P energy: -90.380
bonds (distance) P-C4' energy: -95.927
flat angles C4'-P-C4' energy: -84.536
flat angles P-C4'-P energy: -55.762
tors. eta vs tors. theta energy: -30.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -415.680165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.680165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.680165 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -119.048
Base-Backbone interact. energy: -3.141
local terms energy: -281.954482
where:
bonds (distance) C4'-P energy: -85.202
bonds (distance) P-C4' energy: -89.682
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: 7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1874.841950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.841950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.841950 (E_RNA)
where:
Base-Base interactions energy: -1276.653
where: short stacking energy: -575.838
Base-Backbone interact. energy: -2.319
local terms energy: -595.870309
where:
bonds (distance) C4'-P energy: -105.476
bonds (distance) P-C4' energy: -116.870
flat angles C4'-P-C4' energy: -128.652
flat angles P-C4'-P energy: -83.006
tors. eta vs tors. theta energy: -161.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1866.706234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.706234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.706234 (E_RNA)
where:
Base-Base interactions energy: -1291.170
where: short stacking energy: -566.548
Base-Backbone interact. energy: -0.948
local terms energy: -574.588745
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -95.385
flat angles C4'-P-C4' energy: -119.088
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -175.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1742.616734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.616734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.616734 (E_RNA)
where:
Base-Base interactions energy: -1193.437
where: short stacking energy: -519.193
Base-Backbone interact. energy: -1.826
local terms energy: -547.353816
where:
bonds (distance) C4'-P energy: -92.456
bonds (distance) P-C4' energy: -111.245
flat angles C4'-P-C4' energy: -111.364
flat angles P-C4'-P energy: -85.588
tors. eta vs tors. theta energy: -146.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1668.337243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.337243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.337243 (E_RNA)
where:
Base-Base interactions energy: -1140.191
where: short stacking energy: -518.325
Base-Backbone interact. energy: -1.492
local terms energy: -526.654189
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -101.165
flat angles C4'-P-C4' energy: -117.608
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -131.891
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: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1608.684817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.684817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.684817 (E_RNA)
where:
Base-Base interactions energy: -1071.363
where: short stacking energy: -478.216
Base-Backbone interact. energy: -1.722
local terms energy: -535.599985
where:
bonds (distance) C4'-P energy: -84.936
bonds (distance) P-C4' energy: -98.375
flat angles C4'-P-C4' energy: -125.734
flat angles P-C4'-P energy: -85.751
tors. eta vs tors. theta energy: -140.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1575.687642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.687642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.687642 (E_RNA)
where:
Base-Base interactions energy: -1077.685
where: short stacking energy: -456.377
Base-Backbone interact. energy: -3.124
local terms energy: -494.878671
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -104.286
flat angles C4'-P-C4' energy: -100.851
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -127.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1339.046105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.046105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.046105 (E_RNA)
where:
Base-Base interactions energy: -902.601
where: short stacking energy: -379.655
Base-Backbone interact. energy: 0.774
local terms energy: -437.218842
where:
bonds (distance) C4'-P energy: -107.147
bonds (distance) P-C4' energy: -92.063
flat angles C4'-P-C4' energy: -90.446
flat angles P-C4'-P energy: -65.908
tors. eta vs tors. theta energy: -81.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1219.397082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.397082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.397082 (E_RNA)
where:
Base-Base interactions energy: -807.447
where: short stacking energy: -352.779
Base-Backbone interact. energy: 0.420
local terms energy: -412.369914
where:
bonds (distance) C4'-P energy: -77.137
bonds (distance) P-C4' energy: -85.884
flat angles C4'-P-C4' energy: -103.120
flat angles P-C4'-P energy: -60.015
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: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -771.504511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.504511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.504511 (E_RNA)
where:
Base-Base interactions energy: -448.764
where: short stacking energy: -244.350
Base-Backbone interact. energy: -0.459
local terms energy: -322.281265
where:
bonds (distance) C4'-P energy: -84.780
bonds (distance) P-C4' energy: -88.959
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -54.343
tors. eta vs tors. theta energy: -17.000
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: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -467.947241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.947241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.947241 (E_RNA)
where:
Base-Base interactions energy: -187.209
where: short stacking energy: -132.776
Base-Backbone interact. energy: -1.812
local terms energy: -278.926447
where:
bonds (distance) C4'-P energy: -87.041
bonds (distance) P-C4' energy: -83.253
flat angles C4'-P-C4' energy: -72.019
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: 8.875
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1861.174568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.174568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.174568 (E_RNA)
where:
Base-Base interactions energy: -1267.291
where: short stacking energy: -556.928
Base-Backbone interact. energy: -2.515
local terms energy: -591.368575
where:
bonds (distance) C4'-P energy: -108.390
bonds (distance) P-C4' energy: -109.305
flat angles C4'-P-C4' energy: -133.518
flat angles P-C4'-P energy: -85.313
tors. eta vs tors. theta energy: -154.843
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: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1787.133569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.133569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.133569 (E_RNA)
where:
Base-Base interactions energy: -1215.081
where: short stacking energy: -520.024
Base-Backbone interact. energy: -2.011
local terms energy: -570.041325
where:
bonds (distance) C4'-P energy: -96.013
bonds (distance) P-C4' energy: -118.857
flat angles C4'-P-C4' energy: -113.011
flat angles P-C4'-P energy: -88.826
tors. eta vs tors. theta energy: -153.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1787.388843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.388843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.388843 (E_RNA)
where:
Base-Base interactions energy: -1229.465
where: short stacking energy: -516.387
Base-Backbone interact. energy: -3.491
local terms energy: -554.432432
where:
bonds (distance) C4'-P energy: -94.903
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -113.877
flat angles P-C4'-P energy: -84.144
tors. eta vs tors. theta energy: -159.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1696.422848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.422848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.422848 (E_RNA)
where:
Base-Base interactions energy: -1178.074
where: short stacking energy: -517.913
Base-Backbone interact. energy: -2.374
local terms energy: -515.974548
where:
bonds (distance) C4'-P energy: -95.842
bonds (distance) P-C4' energy: -99.760
flat angles C4'-P-C4' energy: -102.953
flat angles P-C4'-P energy: -69.325
tors. eta vs tors. theta energy: -148.095
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: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1605.886849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.886849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.886849 (E_RNA)
where:
Base-Base interactions energy: -1087.865
where: short stacking energy: -475.944
Base-Backbone interact. energy: 0.303
local terms energy: -518.324043
where:
bonds (distance) C4'-P energy: -102.551
bonds (distance) P-C4' energy: -95.118
flat angles C4'-P-C4' energy: -113.440
flat angles P-C4'-P energy: -65.278
tors. eta vs tors. theta energy: -141.938
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: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1568.167579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.167579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.167579 (E_RNA)
where:
Base-Base interactions energy: -1070.804
where: short stacking energy: -450.343
Base-Backbone interact. energy: -0.278
local terms energy: -497.086264
where:
bonds (distance) C4'-P energy: -85.649
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -117.311
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -132.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1296.931807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.931807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.931807 (E_RNA)
where:
Base-Base interactions energy: -841.640
where: short stacking energy: -357.919
Base-Backbone interact. energy: -2.808
local terms energy: -452.483263
where:
bonds (distance) C4'-P energy: -91.199
bonds (distance) P-C4' energy: -108.124
flat angles C4'-P-C4' energy: -111.876
flat angles P-C4'-P energy: -57.290
tors. eta vs tors. theta energy: -83.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1223.436288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.436288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.436288 (E_RNA)
where:
Base-Base interactions energy: -816.747
where: short stacking energy: -359.630
Base-Backbone interact. energy: 2.719
local terms energy: -409.408874
where:
bonds (distance) C4'-P energy: -90.984
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -96.556
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -82.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -756.282730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.282730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.282730 (E_RNA)
where:
Base-Base interactions energy: -411.340
where: short stacking energy: -200.879
Base-Backbone interact. energy: 4.103
local terms energy: -349.045989
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -90.768
flat angles C4'-P-C4' energy: -83.180
flat angles P-C4'-P energy: -61.509
tors. eta vs tors. theta energy: -28.551
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: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -430.341871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.341871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.341871 (E_RNA)
where:
Base-Base interactions energy: -177.198
where: short stacking energy: -134.939
Base-Backbone interact. energy: 2.025
local terms energy: -255.169197
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -78.189
flat angles C4'-P-C4' energy: -67.366
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: 6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1868.133455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.133455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.133455 (E_RNA)
where:
Base-Base interactions energy: -1268.436
where: short stacking energy: -572.516
Base-Backbone interact. energy: 0.168
local terms energy: -599.865917
where:
bonds (distance) C4'-P energy: -107.991
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -134.038
flat angles P-C4'-P energy: -89.161
tors. eta vs tors. theta energy: -163.347
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1803.179764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.179764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.179764 (E_RNA)
where:
Base-Base interactions energy: -1260.724
where: short stacking energy: -527.486
Base-Backbone interact. energy: 0.123
local terms energy: -542.577779
where:
bonds (distance) C4'-P energy: -98.326
bonds (distance) P-C4' energy: -102.035
flat angles C4'-P-C4' energy: -108.764
flat angles P-C4'-P energy: -81.301
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: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1716.023946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.023946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.023946 (E_RNA)
where:
Base-Base interactions energy: -1183.271
where: short stacking energy: -513.003
Base-Backbone interact. energy: -0.623
local terms energy: -532.129964
where:
bonds (distance) C4'-P energy: -88.698
bonds (distance) P-C4' energy: -105.848
flat angles C4'-P-C4' energy: -114.914
flat angles P-C4'-P energy: -73.437
tors. eta vs tors. theta energy: -149.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1650.568170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.568170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.568170 (E_RNA)
where:
Base-Base interactions energy: -1142.437
where: short stacking energy: -483.444
Base-Backbone interact. energy: -1.758
local terms energy: -506.373273
where:
bonds (distance) C4'-P energy: -88.412
bonds (distance) P-C4' energy: -106.514
flat angles C4'-P-C4' energy: -107.932
flat angles P-C4'-P energy: -72.290
tors. eta vs tors. theta energy: -131.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1595.320166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.320166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.320166 (E_RNA)
where:
Base-Base interactions energy: -1078.578
where: short stacking energy: -478.712
Base-Backbone interact. energy: 1.073
local terms energy: -517.815065
where:
bonds (distance) C4'-P energy: -84.613
bonds (distance) P-C4' energy: -94.839
flat angles C4'-P-C4' energy: -113.754
flat angles P-C4'-P energy: -74.574
tors. eta vs tors. theta energy: -150.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1536.702109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.702109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.702109 (E_RNA)
where:
Base-Base interactions energy: -1054.637
where: short stacking energy: -468.704
Base-Backbone interact. energy: 2.776
local terms energy: -484.841480
where:
bonds (distance) C4'-P energy: -108.146
bonds (distance) P-C4' energy: -88.721
flat angles C4'-P-C4' energy: -88.784
flat angles P-C4'-P energy: -62.887
tors. eta vs tors. theta energy: -136.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1301.949983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.949983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.949983 (E_RNA)
where:
Base-Base interactions energy: -860.671
where: short stacking energy: -387.429
Base-Backbone interact. energy: -0.388
local terms energy: -440.890721
where:
bonds (distance) C4'-P energy: -73.151
bonds (distance) P-C4' energy: -103.992
flat angles C4'-P-C4' energy: -100.593
flat angles P-C4'-P energy: -75.509
tors. eta vs tors. theta energy: -87.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1212.712759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.712759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.712759 (E_RNA)
where:
Base-Base interactions energy: -817.452
where: short stacking energy: -343.204
Base-Backbone interact. energy: 0.195
local terms energy: -395.455700
where:
bonds (distance) C4'-P energy: -82.430
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -86.807
flat angles P-C4'-P energy: -52.986
tors. eta vs tors. theta energy: -78.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -691.721649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.721649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.721649 (E_RNA)
where:
Base-Base interactions energy: -362.958
where: short stacking energy: -193.254
Base-Backbone interact. energy: -1.468
local terms energy: -327.295852
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -86.673
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -55.399
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -426.634558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.634558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.634558 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -129.470
Base-Backbone interact. energy: 4.951
local terms energy: -286.113962
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -90.567
flat angles C4'-P-C4' energy: -81.315
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: 14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1844.208269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.208269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.208269 (E_RNA)
where:
Base-Base interactions energy: -1246.309
where: short stacking energy: -553.812
Base-Backbone interact. energy: -2.830
local terms energy: -595.069181
where:
bonds (distance) C4'-P energy: -107.673
bonds (distance) P-C4' energy: -122.106
flat angles C4'-P-C4' energy: -120.805
flat angles P-C4'-P energy: -89.920
tors. eta vs tors. theta energy: -154.566
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1844.441338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.441338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.441338 (E_RNA)
where:
Base-Base interactions energy: -1263.062
where: short stacking energy: -561.139
Base-Backbone interact. energy: -1.774
local terms energy: -579.605764
where:
bonds (distance) C4'-P energy: -109.720
bonds (distance) P-C4' energy: -105.196
flat angles C4'-P-C4' energy: -116.629
flat angles P-C4'-P energy: -82.132
tors. eta vs tors. theta energy: -165.928
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: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1738.476304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.476304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.476304 (E_RNA)
where:
Base-Base interactions energy: -1172.891
where: short stacking energy: -515.807
Base-Backbone interact. energy: -1.266
local terms energy: -564.319318
where:
bonds (distance) C4'-P energy: -107.010
bonds (distance) P-C4' energy: -100.822
flat angles C4'-P-C4' energy: -112.939
flat angles P-C4'-P energy: -91.759
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: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1675.632654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.632654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.632654 (E_RNA)
where:
Base-Base interactions energy: -1144.984
where: short stacking energy: -462.350
Base-Backbone interact. energy: -1.612
local terms energy: -529.036799
where:
bonds (distance) C4'-P energy: -105.516
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -107.636
flat angles P-C4'-P energy: -78.003
tors. eta vs tors. theta energy: -136.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1633.469033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.469033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.469033 (E_RNA)
where:
Base-Base interactions energy: -1118.732
where: short stacking energy: -472.266
Base-Backbone interact. energy: -0.997
local terms energy: -513.740186
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -115.958
flat angles P-C4'-P energy: -79.800
tors. eta vs tors. theta energy: -130.436
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: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1589.037925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.037925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.037925 (E_RNA)
where:
Base-Base interactions energy: -1089.685
where: short stacking energy: -487.825
Base-Backbone interact. energy: -0.228
local terms energy: -499.124862
where:
bonds (distance) C4'-P energy: -101.226
bonds (distance) P-C4' energy: -92.427
flat angles C4'-P-C4' energy: -99.473
flat angles P-C4'-P energy: -68.597
tors. eta vs tors. theta energy: -137.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1329.257899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.257899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.257899 (E_RNA)
where:
Base-Base interactions energy: -868.274
where: short stacking energy: -370.359
Base-Backbone interact. energy: 3.099
local terms energy: -464.082530
where:
bonds (distance) C4'-P energy: -102.862
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -106.395
flat angles P-C4'-P energy: -71.200
tors. eta vs tors. theta energy: -89.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1188.667352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.667352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.667352 (E_RNA)
where:
Base-Base interactions energy: -793.592
where: short stacking energy: -329.443
Base-Backbone interact. energy: -1.271
local terms energy: -393.804471
where:
bonds (distance) C4'-P energy: -82.286
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -85.149
flat angles P-C4'-P energy: -70.218
tors. eta vs tors. theta energy: -69.746
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -731.082750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.082750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.082750 (E_RNA)
where:
Base-Base interactions energy: -411.014
where: short stacking energy: -214.251
Base-Backbone interact. energy: 0.910
local terms energy: -320.978692
where:
bonds (distance) C4'-P energy: -81.453
bonds (distance) P-C4' energy: -74.506
flat angles C4'-P-C4' energy: -82.941
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -31.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -406.496251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.496251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.496251 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -103.262
Base-Backbone interact. energy: -0.804
local terms energy: -270.927350
where:
bonds (distance) C4'-P energy: -89.046
bonds (distance) P-C4' energy: -98.824
flat angles C4'-P-C4' energy: -62.515
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: 25.715
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: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1863.790214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.790214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.790214 (E_RNA)
where:
Base-Base interactions energy: -1281.252
where: short stacking energy: -535.506
Base-Backbone interact. energy: -0.922
local terms energy: -581.616023
where:
bonds (distance) C4'-P energy: -102.324
bonds (distance) P-C4' energy: -119.097
flat angles C4'-P-C4' energy: -116.910
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -155.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1831.830636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.830636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.830636 (E_RNA)
where:
Base-Base interactions energy: -1240.254
where: short stacking energy: -524.854
Base-Backbone interact. energy: -1.351
local terms energy: -590.226349
where:
bonds (distance) C4'-P energy: -120.526
bonds (distance) P-C4' energy: -92.995
flat angles C4'-P-C4' energy: -129.787
flat angles P-C4'-P energy: -91.429
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: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1722.157420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.157420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.157420 (E_RNA)
where:
Base-Base interactions energy: -1144.455
where: short stacking energy: -512.679
Base-Backbone interact. energy: -0.776
local terms energy: -576.926666
where:
bonds (distance) C4'-P energy: -100.829
bonds (distance) P-C4' energy: -109.753
flat angles C4'-P-C4' energy: -123.391
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -148.241
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1690.698539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.698539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.698539 (E_RNA)
where:
Base-Base interactions energy: -1167.699
where: short stacking energy: -491.332
Base-Backbone interact. energy: -1.336
local terms energy: -521.664095
where:
bonds (distance) C4'-P energy: -90.217
bonds (distance) P-C4' energy: -107.337
flat angles C4'-P-C4' energy: -111.486
flat angles P-C4'-P energy: -71.284
tors. eta vs tors. theta energy: -141.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1642.411555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.411555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.411555 (E_RNA)
where:
Base-Base interactions energy: -1110.530
where: short stacking energy: -483.656
Base-Backbone interact. energy: -1.612
local terms energy: -530.269513
where:
bonds (distance) C4'-P energy: -102.321
bonds (distance) P-C4' energy: -94.203
flat angles C4'-P-C4' energy: -121.524
flat angles P-C4'-P energy: -71.887
tors. eta vs tors. theta energy: -140.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1562.005006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.005006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.005006 (E_RNA)
where:
Base-Base interactions energy: -1063.585
where: short stacking energy: -445.843
Base-Backbone interact. energy: -0.095
local terms energy: -498.325094
where:
bonds (distance) C4'-P energy: -100.292
bonds (distance) P-C4' energy: -95.049
flat angles C4'-P-C4' energy: -114.674
flat angles P-C4'-P energy: -72.134
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: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1389.057023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.057023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.057023 (E_RNA)
where:
Base-Base interactions energy: -932.947
where: short stacking energy: -408.374
Base-Backbone interact. energy: 0.379
local terms energy: -456.489075
where:
bonds (distance) C4'-P energy: -104.080
bonds (distance) P-C4' energy: -77.950
flat angles C4'-P-C4' energy: -97.650
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -119.016
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1215.508593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.508593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.508593 (E_RNA)
where:
Base-Base interactions energy: -780.812
where: short stacking energy: -352.053
Base-Backbone interact. energy: -0.139
local terms energy: -434.558337
where:
bonds (distance) C4'-P energy: -101.256
bonds (distance) P-C4' energy: -94.115
flat angles C4'-P-C4' energy: -97.048
flat angles P-C4'-P energy: -60.475
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -735.551834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.551834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.551834 (E_RNA)
where:
Base-Base interactions energy: -409.478
where: short stacking energy: -210.040
Base-Backbone interact. energy: 1.365
local terms energy: -327.438258
where:
bonds (distance) C4'-P energy: -93.477
bonds (distance) P-C4' energy: -87.770
flat angles C4'-P-C4' energy: -83.244
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -439.869391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.869391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.869391 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -116.999
Base-Backbone interact. energy: 0.714
local terms energy: -300.654127
where:
bonds (distance) C4'-P energy: -92.162
bonds (distance) P-C4' energy: -109.719
flat angles C4'-P-C4' energy: -72.003
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: 17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1889.580147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.580147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.580147 (E_RNA)
where:
Base-Base interactions energy: -1320.375
where: short stacking energy: -569.045
Base-Backbone interact. energy: -2.737
local terms energy: -566.468435
where:
bonds (distance) C4'-P energy: -103.803
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -122.288
flat angles P-C4'-P energy: -80.175
tors. eta vs tors. theta energy: -160.768
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: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1814.755696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.755696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.755696 (E_RNA)
where:
Base-Base interactions energy: -1214.413
where: short stacking energy: -532.992
Base-Backbone interact. energy: -2.562
local terms energy: -597.781199
where:
bonds (distance) C4'-P energy: -106.955
bonds (distance) P-C4' energy: -111.660
flat angles C4'-P-C4' energy: -117.589
flat angles P-C4'-P energy: -94.688
tors. eta vs tors. theta energy: -166.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1738.799876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.799876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.799876 (E_RNA)
where:
Base-Base interactions energy: -1171.993
where: short stacking energy: -526.572
Base-Backbone interact. energy: -4.328
local terms energy: -562.478671
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -109.175
flat angles C4'-P-C4' energy: -127.453
flat angles P-C4'-P energy: -76.443
tors. eta vs tors. theta energy: -142.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1675.296109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.296109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.296109 (E_RNA)
where:
Base-Base interactions energy: -1166.255
where: short stacking energy: -516.577
Base-Backbone interact. energy: -3.049
local terms energy: -505.992510
where:
bonds (distance) C4'-P energy: -68.911
bonds (distance) P-C4' energy: -94.684
flat angles C4'-P-C4' energy: -117.565
flat angles P-C4'-P energy: -75.482
tors. eta vs tors. theta energy: -149.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1663.678283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.678283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.678283 (E_RNA)
where:
Base-Base interactions energy: -1138.463
where: short stacking energy: -496.408
Base-Backbone interact. energy: -0.585
local terms energy: -524.631074
where:
bonds (distance) C4'-P energy: -84.359
bonds (distance) P-C4' energy: -100.867
flat angles C4'-P-C4' energy: -127.465
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -140.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1585.198346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.198346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.198346 (E_RNA)
where:
Base-Base interactions energy: -1055.321
where: short stacking energy: -478.982
Base-Backbone interact. energy: -0.300
local terms energy: -529.577537
where:
bonds (distance) C4'-P energy: -95.332
bonds (distance) P-C4' energy: -115.724
flat angles C4'-P-C4' energy: -111.811
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -133.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1378.073424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.073424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.073424 (E_RNA)
where:
Base-Base interactions energy: -923.666
where: short stacking energy: -404.167
Base-Backbone interact. energy: -2.433
local terms energy: -451.973718
where:
bonds (distance) C4'-P energy: -85.426
bonds (distance) P-C4' energy: -90.068
flat angles C4'-P-C4' energy: -99.245
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -105.390
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: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1168.671483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.671483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.671483 (E_RNA)
where:
Base-Base interactions energy: -758.406
where: short stacking energy: -324.752
Base-Backbone interact. energy: -1.670
local terms energy: -408.595176
where:
bonds (distance) C4'-P energy: -94.819
bonds (distance) P-C4' energy: -83.091
flat angles C4'-P-C4' energy: -87.622
flat angles P-C4'-P energy: -63.696
tors. eta vs tors. theta energy: -79.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -798.188679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.188679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.188679 (E_RNA)
where:
Base-Base interactions energy: -438.094
where: short stacking energy: -208.618
Base-Backbone interact. energy: -1.519
local terms energy: -358.575506
where:
bonds (distance) C4'-P energy: -74.990
bonds (distance) P-C4' energy: -101.332
flat angles C4'-P-C4' energy: -90.979
flat angles P-C4'-P energy: -74.239
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -416.867130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.867130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.867130 (E_RNA)
where:
Base-Base interactions energy: -148.782
where: short stacking energy: -119.303
Base-Backbone interact. energy: 6.498
local terms energy: -274.583032
where:
bonds (distance) C4'-P energy: -81.128
bonds (distance) P-C4' energy: -90.061
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: 12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1888.835761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.835761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.835761 (E_RNA)
where:
Base-Base interactions energy: -1304.745
where: short stacking energy: -563.983
Base-Backbone interact. energy: -0.893
local terms energy: -583.198414
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -117.499
flat angles C4'-P-C4' energy: -117.806
flat angles P-C4'-P energy: -75.731
tors. eta vs tors. theta energy: -166.410
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1828.837035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.837035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.837035 (E_RNA)
where:
Base-Base interactions energy: -1252.106
where: short stacking energy: -553.446
Base-Backbone interact. energy: 0.289
local terms energy: -577.020816
where:
bonds (distance) C4'-P energy: -94.434
bonds (distance) P-C4' energy: -109.713
flat angles C4'-P-C4' energy: -116.259
flat angles P-C4'-P energy: -88.308
tors. eta vs tors. theta energy: -168.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1744.613853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.613853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.613853 (E_RNA)
where:
Base-Base interactions energy: -1199.489
where: short stacking energy: -530.924
Base-Backbone interact. energy: 2.979
local terms energy: -548.103551
where:
bonds (distance) C4'-P energy: -102.282
bonds (distance) P-C4' energy: -97.891
flat angles C4'-P-C4' energy: -112.809
flat angles P-C4'-P energy: -84.344
tors. eta vs tors. theta energy: -150.777
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: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1660.613898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.613898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.613898 (E_RNA)
where:
Base-Base interactions energy: -1141.786
where: short stacking energy: -511.504
Base-Backbone interact. energy: -0.191
local terms energy: -518.637094
where:
bonds (distance) C4'-P energy: -95.492
bonds (distance) P-C4' energy: -102.081
flat angles C4'-P-C4' energy: -104.905
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -149.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1635.769768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.769768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.769768 (E_RNA)
where:
Base-Base interactions energy: -1108.966
where: short stacking energy: -485.166
Base-Backbone interact. energy: -0.493
local terms energy: -526.309839
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -115.748
flat angles P-C4'-P energy: -67.873
tors. eta vs tors. theta energy: -137.871
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1580.538366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.538366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.538366 (E_RNA)
where:
Base-Base interactions energy: -1072.171
where: short stacking energy: -468.007
Base-Backbone interact. energy: 1.162
local terms energy: -509.530288
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -95.919
flat angles C4'-P-C4' energy: -103.277
flat angles P-C4'-P energy: -85.677
tors. eta vs tors. theta energy: -134.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1347.235920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.235920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.235920 (E_RNA)
where:
Base-Base interactions energy: -903.282
where: short stacking energy: -406.215
Base-Backbone interact. energy: -0.503
local terms energy: -443.451102
where:
bonds (distance) C4'-P energy: -85.971
bonds (distance) P-C4' energy: -84.532
flat angles C4'-P-C4' energy: -112.214
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -94.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1174.877369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.877369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.877369 (E_RNA)
where:
Base-Base interactions energy: -768.747
where: short stacking energy: -329.463
Base-Backbone interact. energy: -3.592
local terms energy: -402.538130
where:
bonds (distance) C4'-P energy: -91.129
bonds (distance) P-C4' energy: -93.377
flat angles C4'-P-C4' energy: -86.838
flat angles P-C4'-P energy: -66.403
tors. eta vs tors. theta energy: -64.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -854.785645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.785645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.785645 (E_RNA)
where:
Base-Base interactions energy: -508.852
where: short stacking energy: -260.171
Base-Backbone interact. energy: 5.498
local terms energy: -351.432032
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -87.251
flat angles C4'-P-C4' energy: -82.857
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -40.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -429.013494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.013494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.013494 (E_RNA)
where:
Base-Base interactions energy: -166.061
where: short stacking energy: -136.921
Base-Backbone interact. energy: 2.485
local terms energy: -265.437052
where:
bonds (distance) C4'-P energy: -80.639
bonds (distance) P-C4' energy: -86.353
flat angles C4'-P-C4' energy: -66.908
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: 12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1899.225076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.225076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.225076 (E_RNA)
where:
Base-Base interactions energy: -1308.371
where: short stacking energy: -566.975
Base-Backbone interact. energy: -1.565
local terms energy: -589.289399
where:
bonds (distance) C4'-P energy: -109.265
bonds (distance) P-C4' energy: -105.465
flat angles C4'-P-C4' energy: -133.515
flat angles P-C4'-P energy: -70.791
tors. eta vs tors. theta energy: -170.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1820.329000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.329000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.329000 (E_RNA)
where:
Base-Base interactions energy: -1231.742
where: short stacking energy: -554.811
Base-Backbone interact. energy: -1.032
local terms energy: -587.554560
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -76.445
tors. eta vs tors. theta energy: -176.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1739.717315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.717315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.717315 (E_RNA)
where:
Base-Base interactions energy: -1174.147
where: short stacking energy: -517.801
Base-Backbone interact. energy: -0.668
local terms energy: -564.902191
where:
bonds (distance) C4'-P energy: -97.683
bonds (distance) P-C4' energy: -117.221
flat angles C4'-P-C4' energy: -126.264
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -149.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1668.267558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.267558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.267558 (E_RNA)
where:
Base-Base interactions energy: -1139.895
where: short stacking energy: -482.173
Base-Backbone interact. energy: -2.489
local terms energy: -525.883233
where:
bonds (distance) C4'-P energy: -102.341
bonds (distance) P-C4' energy: -108.376
flat angles C4'-P-C4' energy: -116.436
flat angles P-C4'-P energy: -64.449
tors. eta vs tors. theta energy: -134.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1632.062269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.062269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.062269 (E_RNA)
where:
Base-Base interactions energy: -1105.054
where: short stacking energy: -494.228
Base-Backbone interact. energy: -0.780
local terms energy: -526.227761
where:
bonds (distance) C4'-P energy: -89.361
bonds (distance) P-C4' energy: -94.639
flat angles C4'-P-C4' energy: -113.302
flat angles P-C4'-P energy: -75.312
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: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1577.567046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.567046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.567046 (E_RNA)
where:
Base-Base interactions energy: -1059.614
where: short stacking energy: -470.791
Base-Backbone interact. energy: -1.043
local terms energy: -516.910220
where:
bonds (distance) C4'-P energy: -95.529
bonds (distance) P-C4' energy: -96.826
flat angles C4'-P-C4' energy: -107.902
flat angles P-C4'-P energy: -81.329
tors. eta vs tors. theta energy: -135.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1400.426733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.426733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.426733 (E_RNA)
where:
Base-Base interactions energy: -927.449
where: short stacking energy: -409.535
Base-Backbone interact. energy: -0.249
local terms energy: -472.728842
where:
bonds (distance) C4'-P energy: -86.497
bonds (distance) P-C4' energy: -91.928
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -76.262
tors. eta vs tors. theta energy: -113.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1192.081527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.081527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.081527 (E_RNA)
where:
Base-Base interactions energy: -782.799
where: short stacking energy: -338.623
Base-Backbone interact. energy: 3.241
local terms energy: -412.522679
where:
bonds (distance) C4'-P energy: -97.933
bonds (distance) P-C4' energy: -83.096
flat angles C4'-P-C4' energy: -94.923
flat angles P-C4'-P energy: -66.541
tors. eta vs tors. theta energy: -70.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -869.799199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.799199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.799199 (E_RNA)
where:
Base-Base interactions energy: -542.190
where: short stacking energy: -263.559
Base-Backbone interact. energy: 8.852
local terms energy: -336.461192
where:
bonds (distance) C4'-P energy: -89.506
bonds (distance) P-C4' energy: -81.221
flat angles C4'-P-C4' energy: -82.882
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -33.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -439.056034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.056034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.056034 (E_RNA)
where:
Base-Base interactions energy: -182.322
where: short stacking energy: -145.203
Base-Backbone interact. energy: 3.613
local terms energy: -260.346486
where:
bonds (distance) C4'-P energy: -71.247
bonds (distance) P-C4' energy: -95.139
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -24.260
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: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1912.142418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.142418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.142418 (E_RNA)
where:
Base-Base interactions energy: -1314.786
where: short stacking energy: -555.022
Base-Backbone interact. energy: -1.521
local terms energy: -595.835602
where:
bonds (distance) C4'-P energy: -104.951
bonds (distance) P-C4' energy: -107.224
flat angles C4'-P-C4' energy: -126.206
flat angles P-C4'-P energy: -89.856
tors. eta vs tors. theta energy: -167.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1802.897098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.897098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.897098 (E_RNA)
where:
Base-Base interactions energy: -1225.447
where: short stacking energy: -527.458
Base-Backbone interact. energy: 1.176
local terms energy: -578.626498
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -97.918
flat angles C4'-P-C4' energy: -126.554
flat angles P-C4'-P energy: -84.369
tors. eta vs tors. theta energy: -156.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1776.663426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.663426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.663426 (E_RNA)
where:
Base-Base interactions energy: -1210.881
where: short stacking energy: -544.976
Base-Backbone interact. energy: 2.338
local terms energy: -568.120318
where:
bonds (distance) C4'-P energy: -109.926
bonds (distance) P-C4' energy: -113.186
flat angles C4'-P-C4' energy: -113.301
flat angles P-C4'-P energy: -72.609
tors. eta vs tors. theta energy: -159.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1644.201885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.201885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.201885 (E_RNA)
where:
Base-Base interactions energy: -1105.586
where: short stacking energy: -487.330
Base-Backbone interact. energy: -0.331
local terms energy: -538.284138
where:
bonds (distance) C4'-P energy: -92.380
bonds (distance) P-C4' energy: -117.208
flat angles C4'-P-C4' energy: -116.823
flat angles P-C4'-P energy: -68.179
tors. eta vs tors. theta energy: -143.694
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1682.684358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.684358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.684358 (E_RNA)
where:
Base-Base interactions energy: -1134.377
where: short stacking energy: -495.452
Base-Backbone interact. energy: -3.173
local terms energy: -545.133733
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -106.723
flat angles C4'-P-C4' energy: -118.259
flat angles P-C4'-P energy: -82.398
tors. eta vs tors. theta energy: -146.929
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: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1569.481819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.481819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.481819 (E_RNA)
where:
Base-Base interactions energy: -1091.534
where: short stacking energy: -462.682
Base-Backbone interact. energy: -2.094
local terms energy: -475.853963
where:
bonds (distance) C4'-P energy: -87.974
bonds (distance) P-C4' energy: -82.056
flat angles C4'-P-C4' energy: -100.599
flat angles P-C4'-P energy: -73.465
tors. eta vs tors. theta energy: -131.760
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: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1373.285757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.285757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.285757 (E_RNA)
where:
Base-Base interactions energy: -898.205
where: short stacking energy: -389.574
Base-Backbone interact. energy: -2.075
local terms energy: -473.005772
where:
bonds (distance) C4'-P energy: -98.634
bonds (distance) P-C4' energy: -100.490
flat angles C4'-P-C4' energy: -114.295
flat angles P-C4'-P energy: -59.499
tors. eta vs tors. theta energy: -100.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1228.746685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.746685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.746685 (E_RNA)
where:
Base-Base interactions energy: -816.892
where: short stacking energy: -359.564
Base-Backbone interact. energy: -3.423
local terms energy: -408.431760
where:
bonds (distance) C4'-P energy: -84.714
bonds (distance) P-C4' energy: -84.426
flat angles C4'-P-C4' energy: -101.189
flat angles P-C4'-P energy: -51.455
tors. eta vs tors. theta energy: -86.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -845.268784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.268784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.268784 (E_RNA)
where:
Base-Base interactions energy: -503.310
where: short stacking energy: -260.853
Base-Backbone interact. energy: 0.990
local terms energy: -342.948921
where:
bonds (distance) C4'-P energy: -90.052
bonds (distance) P-C4' energy: -90.151
flat angles C4'-P-C4' energy: -71.130
flat angles P-C4'-P energy: -54.853
tors. eta vs tors. theta energy: -36.763
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: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -467.180321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.180321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.180321 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -115.407
Base-Backbone interact. energy: -1.239
local terms energy: -293.751600
where:
bonds (distance) C4'-P energy: -92.314
bonds (distance) P-C4' energy: -82.532
flat angles C4'-P-C4' energy: -67.326
flat angles P-C4'-P energy: -58.700
tors. eta vs tors. theta energy: 7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1917.186711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.186711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.186711 (E_RNA)
where:
Base-Base interactions energy: -1333.337
where: short stacking energy: -568.454
Base-Backbone interact. energy: 2.933
local terms energy: -586.782364
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -116.175
flat angles C4'-P-C4' energy: -118.763
flat angles P-C4'-P energy: -89.987
tors. eta vs tors. theta energy: -172.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1780.395745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.395745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.395745 (E_RNA)
where:
Base-Base interactions energy: -1231.469
where: short stacking energy: -533.879
Base-Backbone interact. energy: 0.517
local terms energy: -549.444184
where:
bonds (distance) C4'-P energy: -111.696
bonds (distance) P-C4' energy: -96.435
flat angles C4'-P-C4' energy: -113.963
flat angles P-C4'-P energy: -75.349
tors. eta vs tors. theta energy: -152.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1768.595720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.595720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.595720 (E_RNA)
where:
Base-Base interactions energy: -1220.029
where: short stacking energy: -541.802
Base-Backbone interact. energy: -1.552
local terms energy: -547.014705
where:
bonds (distance) C4'-P energy: -98.375
bonds (distance) P-C4' energy: -102.648
flat angles C4'-P-C4' energy: -116.322
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -152.823
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: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1696.257791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.257791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.257791 (E_RNA)
where:
Base-Base interactions energy: -1173.697
where: short stacking energy: -528.846
Base-Backbone interact. energy: -1.129
local terms energy: -521.432032
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -97.127
flat angles C4'-P-C4' energy: -103.369
flat angles P-C4'-P energy: -80.546
tors. eta vs tors. theta energy: -146.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1648.066145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.066145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.066145 (E_RNA)
where:
Base-Base interactions energy: -1141.735
where: short stacking energy: -506.769
Base-Backbone interact. energy: -1.009
local terms energy: -505.322067
where:
bonds (distance) C4'-P energy: -74.138
bonds (distance) P-C4' energy: -103.294
flat angles C4'-P-C4' energy: -111.318
flat angles P-C4'-P energy: -72.997
tors. eta vs tors. theta energy: -143.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1539.751281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.751281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.751281 (E_RNA)
where:
Base-Base interactions energy: -1041.897
where: short stacking energy: -442.613
Base-Backbone interact. energy: -0.784
local terms energy: -497.069407
where:
bonds (distance) C4'-P energy: -87.556
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -126.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1285.279856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.279856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.279856 (E_RNA)
where:
Base-Base interactions energy: -836.987
where: short stacking energy: -371.328
Base-Backbone interact. energy: 0.477
local terms energy: -448.770326
where:
bonds (distance) C4'-P energy: -96.251
bonds (distance) P-C4' energy: -93.624
flat angles C4'-P-C4' energy: -107.191
flat angles P-C4'-P energy: -55.387
tors. eta vs tors. theta energy: -96.316
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: 427
Temperature: 1.250000
Total energy: -1237.257653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.257653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.257653 (E_RNA)
where:
Base-Base interactions energy: -802.095
where: short stacking energy: -340.043
Base-Backbone interact. energy: -1.362
local terms energy: -433.800960
where:
bonds (distance) C4'-P energy: -96.810
bonds (distance) P-C4' energy: -91.873
flat angles C4'-P-C4' energy: -96.043
flat angles P-C4'-P energy: -67.345
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: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -830.500574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.500574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.500574 (E_RNA)
where:
Base-Base interactions energy: -486.599
where: short stacking energy: -239.450
Base-Backbone interact. energy: -1.608
local terms energy: -342.293350
where:
bonds (distance) C4'-P energy: -86.222
bonds (distance) P-C4' energy: -82.911
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -51.199
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -457.434521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.434521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.434521 (E_RNA)
where:
Base-Base interactions energy: -208.921
where: short stacking energy: -137.175
Base-Backbone interact. energy: 2.250
local terms energy: -250.763120
where:
bonds (distance) C4'-P energy: -90.406
bonds (distance) P-C4' energy: -90.515
flat angles C4'-P-C4' energy: -67.405
flat angles P-C4'-P energy: -25.292
tors. eta vs tors. theta energy: 22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1916.906192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.906192 (E_RNA)
where:
Base-Base interactions energy: -1327.435
where: short stacking energy: -549.890
Base-Backbone interact. energy: -2.680
local terms energy: -586.791901
where:
bonds (distance) C4'-P energy: -111.939
bonds (distance) P-C4' energy: -98.446
flat angles C4'-P-C4' energy: -125.607
flat angles P-C4'-P energy: -90.222
tors. eta vs tors. theta energy: -160.578
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1796.505635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.505635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.505635 (E_RNA)
where:
Base-Base interactions energy: -1207.578
where: short stacking energy: -560.714
Base-Backbone interact. energy: 1.584
local terms energy: -590.512133
where:
bonds (distance) C4'-P energy: -100.837
bonds (distance) P-C4' energy: -121.191
flat angles C4'-P-C4' energy: -128.829
flat angles P-C4'-P energy: -71.306
tors. eta vs tors. theta energy: -168.348
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: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1752.181251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.181251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.181251 (E_RNA)
where:
Base-Base interactions energy: -1199.719
where: short stacking energy: -519.193
Base-Backbone interact. energy: -2.229
local terms energy: -550.232842
where:
bonds (distance) C4'-P energy: -81.600
bonds (distance) P-C4' energy: -110.666
flat angles C4'-P-C4' energy: -113.407
flat angles P-C4'-P energy: -90.058
tors. eta vs tors. theta energy: -154.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1683.842001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.842001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.842001 (E_RNA)
where:
Base-Base interactions energy: -1138.717
where: short stacking energy: -521.848
Base-Backbone interact. energy: -1.247
local terms energy: -543.877699
where:
bonds (distance) C4'-P energy: -105.597
bonds (distance) P-C4' energy: -109.813
flat angles C4'-P-C4' energy: -109.138
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -151.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1607.322927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.322927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.322927 (E_RNA)
where:
Base-Base interactions energy: -1090.828
where: short stacking energy: -492.141
Base-Backbone interact. energy: 1.129
local terms energy: -517.623196
where:
bonds (distance) C4'-P energy: -81.388
bonds (distance) P-C4' energy: -97.562
flat angles C4'-P-C4' energy: -115.811
flat angles P-C4'-P energy: -77.967
tors. eta vs tors. theta energy: -144.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1577.035002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.035002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.035002 (E_RNA)
where:
Base-Base interactions energy: -1054.804
where: short stacking energy: -436.226
Base-Backbone interact. energy: 0.001
local terms energy: -522.232292
where:
bonds (distance) C4'-P energy: -106.100
bonds (distance) P-C4' energy: -95.310
flat angles C4'-P-C4' energy: -112.857
flat angles P-C4'-P energy: -67.442
tors. eta vs tors. theta energy: -140.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1335.037889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.037889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.037889 (E_RNA)
where:
Base-Base interactions energy: -877.221
where: short stacking energy: -380.856
Base-Backbone interact. energy: 0.122
local terms energy: -457.938723
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -101.391
flat angles C4'-P-C4' energy: -103.158
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -102.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1249.991616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.991616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.991616 (E_RNA)
where:
Base-Base interactions energy: -849.419
where: short stacking energy: -360.238
Base-Backbone interact. energy: 0.176
local terms energy: -400.747817
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -98.270
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -92.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -840.910556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.910556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.910556 (E_RNA)
where:
Base-Base interactions energy: -483.374
where: short stacking energy: -230.875
Base-Backbone interact. energy: 1.116
local terms energy: -358.653025
where:
bonds (distance) C4'-P energy: -83.582
bonds (distance) P-C4' energy: -92.325
flat angles C4'-P-C4' energy: -102.412
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -431.001947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.001947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.001947 (E_RNA)
where:
Base-Base interactions energy: -161.227
where: short stacking energy: -128.713
Base-Backbone interact. energy: 4.209
local terms energy: -273.983493
where:
bonds (distance) C4'-P energy: -84.493
bonds (distance) P-C4' energy: -88.590
flat angles C4'-P-C4' energy: -76.608
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: 17.629
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: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1878.164757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.164757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.164757 (E_RNA)
where:
Base-Base interactions energy: -1333.739
where: short stacking energy: -579.376
Base-Backbone interact. energy: -3.024
local terms energy: -541.402208
where:
bonds (distance) C4'-P energy: -81.406
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -116.247
flat angles P-C4'-P energy: -69.319
tors. eta vs tors. theta energy: -160.153
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: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1808.242172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.242172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.242172 (E_RNA)
where:
Base-Base interactions energy: -1215.742
where: short stacking energy: -540.424
Base-Backbone interact. energy: -1.767
local terms energy: -590.733500
where:
bonds (distance) C4'-P energy: -104.457
bonds (distance) P-C4' energy: -108.450
flat angles C4'-P-C4' energy: -129.651
flat angles P-C4'-P energy: -83.401
tors. eta vs tors. theta energy: -164.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1758.893873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.893873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.893873 (E_RNA)
where:
Base-Base interactions energy: -1209.962
where: short stacking energy: -522.052
Base-Backbone interact. energy: -4.519
local terms energy: -544.412637
where:
bonds (distance) C4'-P energy: -94.214
bonds (distance) P-C4' energy: -104.339
flat angles C4'-P-C4' energy: -124.228
flat angles P-C4'-P energy: -62.810
tors. eta vs tors. theta energy: -158.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1685.351750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.351750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.351750 (E_RNA)
where:
Base-Base interactions energy: -1131.453
where: short stacking energy: -518.261
Base-Backbone interact. energy: -1.310
local terms energy: -552.589490
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -101.461
flat angles C4'-P-C4' energy: -114.210
flat angles P-C4'-P energy: -81.188
tors. eta vs tors. theta energy: -161.561
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: 429
Temperature: 1.100000
Total energy: -1620.750832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.750832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.750832 (E_RNA)
where:
Base-Base interactions energy: -1089.608
where: short stacking energy: -496.311
Base-Backbone interact. energy: -2.962
local terms energy: -528.180319
where:
bonds (distance) C4'-P energy: -103.677
bonds (distance) P-C4' energy: -105.945
flat angles C4'-P-C4' energy: -108.915
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -145.827
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1605.115812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.115812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.115812 (E_RNA)
where:
Base-Base interactions energy: -1093.225
where: short stacking energy: -474.878
Base-Backbone interact. energy: -0.885
local terms energy: -511.006033
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -82.959
flat angles C4'-P-C4' energy: -121.072
flat angles P-C4'-P energy: -72.985
tors. eta vs tors. theta energy: -136.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1409.761803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.761803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.761803 (E_RNA)
where:
Base-Base interactions energy: -933.095
where: short stacking energy: -398.115
Base-Backbone interact. energy: -1.385
local terms energy: -475.281820
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -113.866
flat angles C4'-P-C4' energy: -102.348
flat angles P-C4'-P energy: -69.784
tors. eta vs tors. theta energy: -99.433
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: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1248.995509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.995509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.995509 (E_RNA)
where:
Base-Base interactions energy: -826.247
where: short stacking energy: -352.844
Base-Backbone interact. energy: 1.892
local terms energy: -424.640432
where:
bonds (distance) C4'-P energy: -85.976
bonds (distance) P-C4' energy: -103.217
flat angles C4'-P-C4' energy: -92.712
flat angles P-C4'-P energy: -65.594
tors. eta vs tors. theta energy: -77.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -839.427760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.427760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.427760 (E_RNA)
where:
Base-Base interactions energy: -479.974
where: short stacking energy: -239.787
Base-Backbone interact. energy: -1.725
local terms energy: -357.728659
where:
bonds (distance) C4'-P energy: -66.529
bonds (distance) P-C4' energy: -97.544
flat angles C4'-P-C4' energy: -89.347
flat angles P-C4'-P energy: -60.998
tors. eta vs tors. theta energy: -43.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -452.939050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.939050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.939050 (E_RNA)
where:
Base-Base interactions energy: -168.048
where: short stacking energy: -117.507
Base-Backbone interact. energy: -3.068
local terms energy: -281.823231
where:
bonds (distance) C4'-P energy: -76.676
bonds (distance) P-C4' energy: -87.070
flat angles C4'-P-C4' energy: -92.148
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: 16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1935.683528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.683528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.683528 (E_RNA)
where:
Base-Base interactions energy: -1330.284
where: short stacking energy: -571.254
Base-Backbone interact. energy: -1.920
local terms energy: -603.479642
where:
bonds (distance) C4'-P energy: -100.904
bonds (distance) P-C4' energy: -112.270
flat angles C4'-P-C4' energy: -127.950
flat angles P-C4'-P energy: -87.899
tors. eta vs tors. theta energy: -174.456
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: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1795.508012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.508012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.508012 (E_RNA)
where:
Base-Base interactions energy: -1252.233
where: short stacking energy: -544.343
Base-Backbone interact. energy: 6.344
local terms energy: -549.619284
where:
bonds (distance) C4'-P energy: -105.272
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -124.551
flat angles P-C4'-P energy: -80.913
tors. eta vs tors. theta energy: -155.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1754.749265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.749265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.749265 (E_RNA)
where:
Base-Base interactions energy: -1191.471
where: short stacking energy: -527.003
Base-Backbone interact. energy: -1.183
local terms energy: -562.095878
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -107.447
flat angles C4'-P-C4' energy: -119.580
flat angles P-C4'-P energy: -78.544
tors. eta vs tors. theta energy: -158.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1647.559243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.559243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.559243 (E_RNA)
where:
Base-Base interactions energy: -1120.749
where: short stacking energy: -486.020
Base-Backbone interact. energy: -3.916
local terms energy: -522.894046
where:
bonds (distance) C4'-P energy: -99.043
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -112.813
flat angles P-C4'-P energy: -54.072
tors. eta vs tors. theta energy: -150.092
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: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1612.878522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.878522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.878522 (E_RNA)
where:
Base-Base interactions energy: -1091.638
where: short stacking energy: -476.345
Base-Backbone interact. energy: -2.731
local terms energy: -518.509420
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -107.334
flat angles C4'-P-C4' energy: -111.414
flat angles P-C4'-P energy: -62.506
tors. eta vs tors. theta energy: -135.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1562.710576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.710576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.710576 (E_RNA)
where:
Base-Base interactions energy: -1078.249
where: short stacking energy: -484.980
Base-Backbone interact. energy: -0.670
local terms energy: -483.791831
where:
bonds (distance) C4'-P energy: -87.742
bonds (distance) P-C4' energy: -80.791
flat angles C4'-P-C4' energy: -100.946
flat angles P-C4'-P energy: -72.963
tors. eta vs tors. theta energy: -141.349
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1408.743418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.743418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.743418 (E_RNA)
where:
Base-Base interactions energy: -945.261
where: short stacking energy: -411.067
Base-Backbone interact. energy: 1.041
local terms energy: -464.522992
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -77.733
flat angles P-C4'-P energy: -78.389
tors. eta vs tors. theta energy: -124.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1239.255753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.255753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.255753 (E_RNA)
where:
Base-Base interactions energy: -836.735
where: short stacking energy: -351.219
Base-Backbone interact. energy: -3.584
local terms energy: -398.936936
where:
bonds (distance) C4'-P energy: -73.029
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -96.768
flat angles P-C4'-P energy: -68.557
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -816.218233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.218233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.218233 (E_RNA)
where:
Base-Base interactions energy: -456.774
where: short stacking energy: -238.262
Base-Backbone interact. energy: -1.519
local terms energy: -357.925379
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -83.137
flat angles C4'-P-C4' energy: -91.906
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -36.299
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: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -517.808123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.808123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.808123 (E_RNA)
where:
Base-Base interactions energy: -226.171
where: short stacking energy: -175.150
Base-Backbone interact. energy: 6.310
local terms energy: -297.946357
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -20.406
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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1900.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.243362 (E_RNA)
where:
Base-Base interactions energy: -1305.702
where: short stacking energy: -580.658
Base-Backbone interact. energy: -2.867
local terms energy: -591.674077
where:
bonds (distance) C4'-P energy: -103.519
bonds (distance) P-C4' energy: -101.736
flat angles C4'-P-C4' energy: -130.407
flat angles P-C4'-P energy: -95.702
tors. eta vs tors. theta energy: -160.311
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: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1809.243843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.243843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.243843 (E_RNA)
where:
Base-Base interactions energy: -1237.851
where: short stacking energy: -557.189
Base-Backbone interact. energy: -1.495
local terms energy: -569.898157
where:
bonds (distance) C4'-P energy: -106.567
bonds (distance) P-C4' energy: -103.343
flat angles C4'-P-C4' energy: -119.831
flat angles P-C4'-P energy: -79.543
tors. eta vs tors. theta energy: -160.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1726.861548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.861548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.861548 (E_RNA)
where:
Base-Base interactions energy: -1181.337
where: short stacking energy: -513.668
Base-Backbone interact. energy: -1.352
local terms energy: -544.171710
where:
bonds (distance) C4'-P energy: -100.772
bonds (distance) P-C4' energy: -104.658
flat angles C4'-P-C4' energy: -105.031
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -154.658
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: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1670.042555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.042555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.042555 (E_RNA)
where:
Base-Base interactions energy: -1127.021
where: short stacking energy: -515.972
Base-Backbone interact. energy: 0.143
local terms energy: -543.163830
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -116.650
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -145.033
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: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1620.349014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.349014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.349014 (E_RNA)
where:
Base-Base interactions energy: -1120.677
where: short stacking energy: -480.832
Base-Backbone interact. energy: -1.008
local terms energy: -498.664151
where:
bonds (distance) C4'-P energy: -97.064
bonds (distance) P-C4' energy: -82.233
flat angles C4'-P-C4' energy: -108.667
flat angles P-C4'-P energy: -69.164
tors. eta vs tors. theta energy: -141.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1536.005071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.005071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.005071 (E_RNA)
where:
Base-Base interactions energy: -1037.684
where: short stacking energy: -440.952
Base-Backbone interact. energy: -2.085
local terms energy: -496.235998
where:
bonds (distance) C4'-P energy: -91.947
bonds (distance) P-C4' energy: -103.765
flat angles C4'-P-C4' energy: -102.089
flat angles P-C4'-P energy: -74.814
tors. eta vs tors. theta energy: -123.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1379.040272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.040272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.040272 (E_RNA)
where:
Base-Base interactions energy: -882.783
where: short stacking energy: -402.825
Base-Backbone interact. energy: -1.388
local terms energy: -494.869152
where:
bonds (distance) C4'-P energy: -95.079
bonds (distance) P-C4' energy: -111.139
flat angles C4'-P-C4' energy: -100.009
flat angles P-C4'-P energy: -77.671
tors. eta vs tors. theta energy: -110.971
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1228.080831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.080831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.080831 (E_RNA)
where:
Base-Base interactions energy: -833.790
where: short stacking energy: -363.341
Base-Backbone interact. energy: -1.575
local terms energy: -392.715568
where:
bonds (distance) C4'-P energy: -77.716
bonds (distance) P-C4' energy: -91.218
flat angles C4'-P-C4' energy: -86.970
flat angles P-C4'-P energy: -57.309
tors. eta vs tors. theta energy: -79.503
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: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -802.329148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.329148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.329148 (E_RNA)
where:
Base-Base interactions energy: -442.927
where: short stacking energy: -208.175
Base-Backbone interact. energy: -3.301
local terms energy: -356.101822
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -84.458
flat angles C4'-P-C4' energy: -107.103
flat angles P-C4'-P energy: -49.561
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -454.816048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.816048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.816048 (E_RNA)
where:
Base-Base interactions energy: -165.624
where: short stacking energy: -141.142
Base-Backbone interact. energy: -1.431
local terms energy: -287.761459
where:
bonds (distance) C4'-P energy: -87.058
bonds (distance) P-C4' energy: -90.229
flat angles C4'-P-C4' energy: -76.662
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: 11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1942.900162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.900162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.900162 (E_RNA)
where:
Base-Base interactions energy: -1340.545
where: short stacking energy: -561.668
Base-Backbone interact. energy: -1.141
local terms energy: -601.214422
where:
bonds (distance) C4'-P energy: -110.735
bonds (distance) P-C4' energy: -121.670
flat angles C4'-P-C4' energy: -113.130
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -171.970
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1818.580702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.580702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.580702 (E_RNA)
where:
Base-Base interactions energy: -1225.650
where: short stacking energy: -546.490
Base-Backbone interact. energy: -1.230
local terms energy: -591.700487
where:
bonds (distance) C4'-P energy: -106.015
bonds (distance) P-C4' energy: -109.052
flat angles C4'-P-C4' energy: -127.715
flat angles P-C4'-P energy: -78.209
tors. eta vs tors. theta energy: -170.710
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: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1761.383988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.383988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.383988 (E_RNA)
where:
Base-Base interactions energy: -1212.732
where: short stacking energy: -525.733
Base-Backbone interact. energy: 0.694
local terms energy: -549.345986
where:
bonds (distance) C4'-P energy: -112.897
bonds (distance) P-C4' energy: -99.287
flat angles C4'-P-C4' energy: -106.848
flat angles P-C4'-P energy: -76.002
tors. eta vs tors. theta energy: -154.313
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: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1650.332555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.332555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.332555 (E_RNA)
where:
Base-Base interactions energy: -1124.402
where: short stacking energy: -492.524
Base-Backbone interact. energy: -0.294
local terms energy: -525.636106
where:
bonds (distance) C4'-P energy: -90.594
bonds (distance) P-C4' energy: -105.249
flat angles C4'-P-C4' energy: -116.210
flat angles P-C4'-P energy: -68.210
tors. eta vs tors. theta energy: -145.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1625.835530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.835530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.835530 (E_RNA)
where:
Base-Base interactions energy: -1097.719
where: short stacking energy: -483.180
Base-Backbone interact. energy: -0.379
local terms energy: -527.737446
where:
bonds (distance) C4'-P energy: -99.375
bonds (distance) P-C4' energy: -100.427
flat angles C4'-P-C4' energy: -111.258
flat angles P-C4'-P energy: -75.636
tors. eta vs tors. theta energy: -141.042
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: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1528.410226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.410226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.410226 (E_RNA)
where:
Base-Base interactions energy: -1041.445
where: short stacking energy: -460.304
Base-Backbone interact. energy: -1.236
local terms energy: -485.729218
where:
bonds (distance) C4'-P energy: -94.941
bonds (distance) P-C4' energy: -84.092
flat angles C4'-P-C4' energy: -102.501
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -131.861
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: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1374.957440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.957440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.957440 (E_RNA)
where:
Base-Base interactions energy: -971.890
where: short stacking energy: -419.751
Base-Backbone interact. energy: -1.622
local terms energy: -401.444998
where:
bonds (distance) C4'-P energy: -72.330
bonds (distance) P-C4' energy: -79.911
flat angles C4'-P-C4' energy: -98.434
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -100.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1176.893596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.893596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.893596 (E_RNA)
where:
Base-Base interactions energy: -754.502
where: short stacking energy: -320.712
Base-Backbone interact. energy: 0.370
local terms energy: -422.762434
where:
bonds (distance) C4'-P energy: -90.686
bonds (distance) P-C4' energy: -110.537
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: -64.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -867.978407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.978407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.978407 (E_RNA)
where:
Base-Base interactions energy: -519.289
where: short stacking energy: -273.825
Base-Backbone interact. energy: -2.276
local terms energy: -346.413957
where:
bonds (distance) C4'-P energy: -86.192
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -94.568
flat angles P-C4'-P energy: -43.056
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -423.060227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.060227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.060227 (E_RNA)
where:
Base-Base interactions energy: -137.953
where: short stacking energy: -130.417
Base-Backbone interact. energy: -2.962
local terms energy: -282.144497
where:
bonds (distance) C4'-P energy: -86.725
bonds (distance) P-C4' energy: -88.293
flat angles C4'-P-C4' energy: -93.114
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: 19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1928.581881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.581881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.581881 (E_RNA)
where:
Base-Base interactions energy: -1335.017
where: short stacking energy: -577.630
Base-Backbone interact. energy: -3.262
local terms energy: -590.303124
where:
bonds (distance) C4'-P energy: -105.694
bonds (distance) P-C4' energy: -111.687
flat angles C4'-P-C4' energy: -127.076
flat angles P-C4'-P energy: -82.663
tors. eta vs tors. theta energy: -163.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1768.223735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.223735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.223735 (E_RNA)
where:
Base-Base interactions energy: -1205.028
where: short stacking energy: -514.765
Base-Backbone interact. energy: -1.720
local terms energy: -561.475935
where:
bonds (distance) C4'-P energy: -101.374
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -116.376
flat angles P-C4'-P energy: -87.874
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: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1722.166301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.166301 (E_RNA)
where:
Base-Base interactions energy: -1174.216
where: short stacking energy: -510.070
Base-Backbone interact. energy: -1.230
local terms energy: -546.720408
where:
bonds (distance) C4'-P energy: -94.296
bonds (distance) P-C4' energy: -105.527
flat angles C4'-P-C4' energy: -119.373
flat angles P-C4'-P energy: -69.432
tors. eta vs tors. theta energy: -158.093
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1691.070938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.070938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.070938 (E_RNA)
where:
Base-Base interactions energy: -1162.365
where: short stacking energy: -500.290
Base-Backbone interact. energy: -0.590
local terms energy: -528.116597
where:
bonds (distance) C4'-P energy: -105.909
bonds (distance) P-C4' energy: -92.726
flat angles C4'-P-C4' energy: -118.996
flat angles P-C4'-P energy: -72.227
tors. eta vs tors. theta energy: -138.259
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1655.099868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.099868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.099868 (E_RNA)
where:
Base-Base interactions energy: -1142.177
where: short stacking energy: -466.418
Base-Backbone interact. energy: 4.515
local terms energy: -517.438038
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -103.141
flat angles C4'-P-C4' energy: -118.932
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: -144.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1469.831158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.831158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.831158 (E_RNA)
where:
Base-Base interactions energy: -1009.362
where: short stacking energy: -451.741
Base-Backbone interact. energy: 0.400
local terms energy: -460.868891
where:
bonds (distance) C4'-P energy: -82.446
bonds (distance) P-C4' energy: -86.938
flat angles C4'-P-C4' energy: -109.723
flat angles P-C4'-P energy: -63.815
tors. eta vs tors. theta energy: -117.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1375.063406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.063406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.063406 (E_RNA)
where:
Base-Base interactions energy: -934.652
where: short stacking energy: -417.178
Base-Backbone interact. energy: 1.230
local terms energy: -441.641854
where:
bonds (distance) C4'-P energy: -67.363
bonds (distance) P-C4' energy: -98.998
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -64.546
tors. eta vs tors. theta energy: -110.596
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: 433
Temperature: 1.250000
Total energy: -1188.214403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.214403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.214403 (E_RNA)
where:
Base-Base interactions energy: -781.318
where: short stacking energy: -339.066
Base-Backbone interact. energy: 1.412
local terms energy: -408.308376
where:
bonds (distance) C4'-P energy: -88.165
bonds (distance) P-C4' energy: -84.936
flat angles C4'-P-C4' energy: -88.744
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -82.990
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: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -870.602325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.602325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.602325 (E_RNA)
where:
Base-Base interactions energy: -538.812
where: short stacking energy: -263.796
Base-Backbone interact. energy: 1.506
local terms energy: -333.296614
where:
bonds (distance) C4'-P energy: -92.797
bonds (distance) P-C4' energy: -71.494
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -37.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -434.022266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.022266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.022266 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -138.208
Base-Backbone interact. energy: -1.145
local terms energy: -269.982339
where:
bonds (distance) C4'-P energy: -74.751
bonds (distance) P-C4' energy: -92.638
flat angles C4'-P-C4' energy: -62.190
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1901.450311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.450311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.450311 (E_RNA)
where:
Base-Base interactions energy: -1282.786
where: short stacking energy: -564.074
Base-Backbone interact. energy: -4.338
local terms energy: -614.326661
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -102.457
flat angles C4'-P-C4' energy: -135.170
flat angles P-C4'-P energy: -87.914
tors. eta vs tors. theta energy: -177.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1791.462340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.462340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.462340 (E_RNA)
where:
Base-Base interactions energy: -1214.624
where: short stacking energy: -531.255
Base-Backbone interact. energy: -0.764
local terms energy: -576.074537
where:
bonds (distance) C4'-P energy: -97.798
bonds (distance) P-C4' energy: -103.168
flat angles C4'-P-C4' energy: -115.755
flat angles P-C4'-P energy: -89.386
tors. eta vs tors. theta energy: -169.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1758.658039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.658039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.658039 (E_RNA)
where:
Base-Base interactions energy: -1215.419
where: short stacking energy: -531.115
Base-Backbone interact. energy: -1.505
local terms energy: -541.734751
where:
bonds (distance) C4'-P energy: -94.293
bonds (distance) P-C4' energy: -99.165
flat angles C4'-P-C4' energy: -122.757
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -150.361
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: 434
Temperature: 1.050000
Total energy: -1651.798270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.798270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.798270 (E_RNA)
where:
Base-Base interactions energy: -1127.811
where: short stacking energy: -482.322
Base-Backbone interact. energy: -0.705
local terms energy: -523.282329
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -106.670
flat angles C4'-P-C4' energy: -109.699
flat angles P-C4'-P energy: -75.374
tors. eta vs tors. theta energy: -142.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1659.672048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.672048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.672048 (E_RNA)
where:
Base-Base interactions energy: -1129.319
where: short stacking energy: -482.159
Base-Backbone interact. energy: -1.298
local terms energy: -529.054871
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -95.702
flat angles C4'-P-C4' energy: -110.438
flat angles P-C4'-P energy: -77.175
tors. eta vs tors. theta energy: -153.037
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: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1420.028659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.028659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.028659 (E_RNA)
where:
Base-Base interactions energy: -955.008
where: short stacking energy: -429.106
Base-Backbone interact. energy: -0.248
local terms energy: -464.772486
where:
bonds (distance) C4'-P energy: -91.314
bonds (distance) P-C4' energy: -91.460
flat angles C4'-P-C4' energy: -109.187
flat angles P-C4'-P energy: -70.753
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1372.774583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.774583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.774583 (E_RNA)
where:
Base-Base interactions energy: -910.797
where: short stacking energy: -408.337
Base-Backbone interact. energy: -1.917
local terms energy: -460.061054
where:
bonds (distance) C4'-P energy: -90.718
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -60.279
tors. eta vs tors. theta energy: -100.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1140.365089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.365089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.365089 (E_RNA)
where:
Base-Base interactions energy: -705.536
where: short stacking energy: -306.756
Base-Backbone interact. energy: 0.050
local terms energy: -434.879070
where:
bonds (distance) C4'-P energy: -92.160
bonds (distance) P-C4' energy: -100.477
flat angles C4'-P-C4' energy: -99.826
flat angles P-C4'-P energy: -64.253
tors. eta vs tors. theta energy: -78.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -841.293170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.293170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.293170 (E_RNA)
where:
Base-Base interactions energy: -497.863
where: short stacking energy: -265.999
Base-Backbone interact. energy: 3.626
local terms energy: -347.056107
where:
bonds (distance) C4'-P energy: -74.289
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -82.107
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -44.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -457.681959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.681959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.681959 (E_RNA)
where:
Base-Base interactions energy: -157.071
where: short stacking energy: -144.584
Base-Backbone interact. energy: 2.784
local terms energy: -303.395529
where:
bonds (distance) C4'-P energy: -74.096
bonds (distance) P-C4' energy: -98.865
flat angles C4'-P-C4' energy: -86.742
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: 9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1915.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.783591 (E_RNA)
where:
Base-Base interactions energy: -1291.771
where: short stacking energy: -567.378
Base-Backbone interact. energy: -2.749
local terms energy: -621.263954
where:
bonds (distance) C4'-P energy: -114.376
bonds (distance) P-C4' energy: -119.199
flat angles C4'-P-C4' energy: -123.890
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -173.647
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: 435
Temperature: 0.950000
Total energy: -1778.585410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.585410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.585410 (E_RNA)
where:
Base-Base interactions energy: -1223.455
where: short stacking energy: -537.057
Base-Backbone interact. energy: 0.230
local terms energy: -555.360944
where:
bonds (distance) C4'-P energy: -96.199
bonds (distance) P-C4' energy: -114.580
flat angles C4'-P-C4' energy: -114.187
flat angles P-C4'-P energy: -81.158
tors. eta vs tors. theta energy: -149.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1702.384915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.384915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.384915 (E_RNA)
where:
Base-Base interactions energy: -1170.797
where: short stacking energy: -495.413
Base-Backbone interact. energy: -4.414
local terms energy: -527.173650
where:
bonds (distance) C4'-P energy: -93.986
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -112.892
flat angles P-C4'-P energy: -82.653
tors. eta vs tors. theta energy: -138.754
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: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1711.199388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.199388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.199388 (E_RNA)
where:
Base-Base interactions energy: -1164.707
where: short stacking energy: -512.844
Base-Backbone interact. energy: 1.524
local terms energy: -548.016139
where:
bonds (distance) C4'-P energy: -88.429
bonds (distance) P-C4' energy: -105.891
flat angles C4'-P-C4' energy: -111.772
flat angles P-C4'-P energy: -90.258
tors. eta vs tors. theta energy: -151.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1623.012072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.012072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.012072 (E_RNA)
where:
Base-Base interactions energy: -1088.293
where: short stacking energy: -473.198
Base-Backbone interact. energy: -0.346
local terms energy: -534.373126
where:
bonds (distance) C4'-P energy: -94.357
bonds (distance) P-C4' energy: -114.324
flat angles C4'-P-C4' energy: -112.522
flat angles P-C4'-P energy: -72.474
tors. eta vs tors. theta energy: -140.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1461.182286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.182286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.182286 (E_RNA)
where:
Base-Base interactions energy: -970.497
where: short stacking energy: -410.787
Base-Backbone interact. energy: -0.424
local terms energy: -490.261422
where:
bonds (distance) C4'-P energy: -98.926
bonds (distance) P-C4' energy: -103.461
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -74.204
tors. eta vs tors. theta energy: -119.928
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: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1390.491354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.491354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.491354 (E_RNA)
where:
Base-Base interactions energy: -938.453
where: short stacking energy: -407.650
Base-Backbone interact. energy: 3.458
local terms energy: -455.496235
where:
bonds (distance) C4'-P energy: -80.729
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -97.768
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: -112.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1206.684646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.684646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.684646 (E_RNA)
where:
Base-Base interactions energy: -790.740
where: short stacking energy: -348.958
Base-Backbone interact. energy: -1.085
local terms energy: -414.859537
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -96.160
flat angles C4'-P-C4' energy: -98.320
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -69.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -818.269871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.269871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.269871 (E_RNA)
where:
Base-Base interactions energy: -469.176
where: short stacking energy: -232.074
Base-Backbone interact. energy: -2.092
local terms energy: -347.001872
where:
bonds (distance) C4'-P energy: -92.757
bonds (distance) P-C4' energy: -95.334
flat angles C4'-P-C4' energy: -83.778
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -449.221539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.221539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.221539 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -109.153
Base-Backbone interact. energy: 2.784
local terms energy: -301.832183
where:
bonds (distance) C4'-P energy: -105.734
bonds (distance) P-C4' energy: -106.081
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: 17.556
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: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1908.390410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.390410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.390410 (E_RNA)
where:
Base-Base interactions energy: -1343.055
where: short stacking energy: -571.693
Base-Backbone interact. energy: -1.927
local terms energy: -563.408344
where:
bonds (distance) C4'-P energy: -105.794
bonds (distance) P-C4' energy: -99.264
flat angles C4'-P-C4' energy: -122.097
flat angles P-C4'-P energy: -76.502
tors. eta vs tors. theta energy: -159.751
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: 436
Temperature: 0.950000
Total energy: -1788.035196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.035196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.035196 (E_RNA)
where:
Base-Base interactions energy: -1198.681
where: short stacking energy: -508.131
Base-Backbone interact. energy: -3.077
local terms energy: -586.277098
where:
bonds (distance) C4'-P energy: -100.143
bonds (distance) P-C4' energy: -122.582
flat angles C4'-P-C4' energy: -129.377
flat angles P-C4'-P energy: -83.262
tors. eta vs tors. theta energy: -150.913
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1770.786483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.786483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.786483 (E_RNA)
where:
Base-Base interactions energy: -1209.519
where: short stacking energy: -519.913
Base-Backbone interact. energy: 1.069
local terms energy: -562.335838
where:
bonds (distance) C4'-P energy: -113.625
bonds (distance) P-C4' energy: -109.898
flat angles C4'-P-C4' energy: -109.779
flat angles P-C4'-P energy: -72.529
tors. eta vs tors. theta energy: -156.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1682.264871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.264871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.264871 (E_RNA)
where:
Base-Base interactions energy: -1147.738
where: short stacking energy: -514.487
Base-Backbone interact. energy: -0.754
local terms energy: -533.772462
where:
bonds (distance) C4'-P energy: -97.032
bonds (distance) P-C4' energy: -103.928
flat angles C4'-P-C4' energy: -111.892
flat angles P-C4'-P energy: -70.370
tors. eta vs tors. theta energy: -150.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1595.728049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.728049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.728049 (E_RNA)
where:
Base-Base interactions energy: -1083.023
where: short stacking energy: -474.362
Base-Backbone interact. energy: -2.245
local terms energy: -510.459900
where:
bonds (distance) C4'-P energy: -89.240
bonds (distance) P-C4' energy: -95.734
flat angles C4'-P-C4' energy: -101.537
flat angles P-C4'-P energy: -71.566
tors. eta vs tors. theta energy: -152.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1492.041071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.041071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.041071 (E_RNA)
where:
Base-Base interactions energy: -1003.396
where: short stacking energy: -425.989
Base-Backbone interact. energy: -1.893
local terms energy: -486.751438
where:
bonds (distance) C4'-P energy: -100.368
bonds (distance) P-C4' energy: -94.343
flat angles C4'-P-C4' energy: -102.386
flat angles P-C4'-P energy: -75.722
tors. eta vs tors. theta energy: -113.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1378.515911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.515911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.515911 (E_RNA)
where:
Base-Base interactions energy: -907.641
where: short stacking energy: -394.488
Base-Backbone interact. energy: -2.225
local terms energy: -468.649422
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -112.225
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -105.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1186.076709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.076709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.076709 (E_RNA)
where:
Base-Base interactions energy: -777.362
where: short stacking energy: -317.623
Base-Backbone interact. energy: 0.123
local terms energy: -408.837676
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -92.105
flat angles C4'-P-C4' energy: -99.124
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: -65.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -859.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.889285 (E_RNA)
where:
Base-Base interactions energy: -496.752
where: short stacking energy: -232.878
Base-Backbone interact. energy: -1.673
local terms energy: -361.464341
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -96.449
flat angles C4'-P-C4' energy: -89.156
flat angles P-C4'-P energy: -33.363
tors. eta vs tors. theta energy: -45.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -427.102207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.102207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.102207 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -134.342
Base-Backbone interact. energy: -1.410
local terms energy: -267.947867
where:
bonds (distance) C4'-P energy: -72.452
bonds (distance) P-C4' energy: -87.904
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: 16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1938.609034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.609034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.609034 (E_RNA)
where:
Base-Base interactions energy: -1330.311
where: short stacking energy: -594.230
Base-Backbone interact. energy: -2.388
local terms energy: -605.910768
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -111.097
flat angles C4'-P-C4' energy: -131.189
flat angles P-C4'-P energy: -84.787
tors. eta vs tors. theta energy: -177.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1833.685798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.685798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.685798 (E_RNA)
where:
Base-Base interactions energy: -1262.544
where: short stacking energy: -553.328
Base-Backbone interact. energy: -0.797
local terms energy: -570.344703
where:
bonds (distance) C4'-P energy: -103.680
bonds (distance) P-C4' energy: -91.800
flat angles C4'-P-C4' energy: -124.071
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -165.747
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: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1757.178102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.178102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.178102 (E_RNA)
where:
Base-Base interactions energy: -1213.924
where: short stacking energy: -518.064
Base-Backbone interact. energy: -1.013
local terms energy: -542.240336
where:
bonds (distance) C4'-P energy: -96.525
bonds (distance) P-C4' energy: -103.890
flat angles C4'-P-C4' energy: -118.781
flat angles P-C4'-P energy: -70.480
tors. eta vs tors. theta energy: -152.565
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: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1695.727189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.727189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.727189 (E_RNA)
where:
Base-Base interactions energy: -1156.019
where: short stacking energy: -507.666
Base-Backbone interact. energy: 1.101
local terms energy: -540.808969
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -118.049
flat angles C4'-P-C4' energy: -105.864
flat angles P-C4'-P energy: -69.238
tors. eta vs tors. theta energy: -150.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1617.559253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.559253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.559253 (E_RNA)
where:
Base-Base interactions energy: -1081.985
where: short stacking energy: -485.699
Base-Backbone interact. energy: -2.367
local terms energy: -533.207429
where:
bonds (distance) C4'-P energy: -103.174
bonds (distance) P-C4' energy: -93.661
flat angles C4'-P-C4' energy: -117.441
flat angles P-C4'-P energy: -72.946
tors. eta vs tors. theta energy: -145.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1468.344786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.344786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.344786 (E_RNA)
where:
Base-Base interactions energy: -1023.878
where: short stacking energy: -448.099
Base-Backbone interact. energy: 3.089
local terms energy: -447.555821
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -86.153
flat angles C4'-P-C4' energy: -104.320
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -104.768
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: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1348.077319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.077319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.077319 (E_RNA)
where:
Base-Base interactions energy: -901.634
where: short stacking energy: -393.801
Base-Backbone interact. energy: -1.414
local terms energy: -445.029382
where:
bonds (distance) C4'-P energy: -95.513
bonds (distance) P-C4' energy: -86.003
flat angles C4'-P-C4' energy: -113.584
flat angles P-C4'-P energy: -59.462
tors. eta vs tors. theta energy: -90.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1239.108073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.108073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.108073 (E_RNA)
where:
Base-Base interactions energy: -830.005
where: short stacking energy: -359.421
Base-Backbone interact. energy: -3.028
local terms energy: -406.074858
where:
bonds (distance) C4'-P energy: -87.259
bonds (distance) P-C4' energy: -85.755
flat angles C4'-P-C4' energy: -82.794
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -82.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -752.117745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.117745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.117745 (E_RNA)
where:
Base-Base interactions energy: -436.637
where: short stacking energy: -203.189
Base-Backbone interact. energy: -1.100
local terms energy: -314.381218
where:
bonds (distance) C4'-P energy: -74.791
bonds (distance) P-C4' energy: -107.190
flat angles C4'-P-C4' energy: -79.096
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -436.518310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.518310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.518310 (E_RNA)
where:
Base-Base interactions energy: -134.088
where: short stacking energy: -108.101
Base-Backbone interact. energy: 6.527
local terms energy: -308.957358
where:
bonds (distance) C4'-P energy: -100.658
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -76.532
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: 31.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1931.565313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.565313 (E_RNA)
where:
Base-Base interactions energy: -1319.457
where: short stacking energy: -566.436
Base-Backbone interact. energy: -0.828
local terms energy: -611.280616
where:
bonds (distance) C4'-P energy: -103.480
bonds (distance) P-C4' energy: -107.861
flat angles C4'-P-C4' energy: -125.575
flat angles P-C4'-P energy: -93.995
tors. eta vs tors. theta energy: -180.370
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: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1785.395699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.395699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.395699 (E_RNA)
where:
Base-Base interactions energy: -1222.307
where: short stacking energy: -548.046
Base-Backbone interact. energy: -3.514
local terms energy: -559.575462
where:
bonds (distance) C4'-P energy: -95.294
bonds (distance) P-C4' energy: -110.370
flat angles C4'-P-C4' energy: -120.425
flat angles P-C4'-P energy: -78.029
tors. eta vs tors. theta energy: -155.458
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1754.946015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.946015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.946015 (E_RNA)
where:
Base-Base interactions energy: -1201.702
where: short stacking energy: -514.387
Base-Backbone interact. energy: 2.145
local terms energy: -555.389302
where:
bonds (distance) C4'-P energy: -113.738
bonds (distance) P-C4' energy: -96.313
flat angles C4'-P-C4' energy: -117.010
flat angles P-C4'-P energy: -77.887
tors. eta vs tors. theta energy: -150.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1700.022515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.022515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.022515 (E_RNA)
where:
Base-Base interactions energy: -1159.606
where: short stacking energy: -529.971
Base-Backbone interact. energy: 1.250
local terms energy: -541.666712
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -119.469
flat angles P-C4'-P energy: -80.064
tors. eta vs tors. theta energy: -150.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1629.451059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.451059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.451059 (E_RNA)
where:
Base-Base interactions energy: -1105.341
where: short stacking energy: -509.105
Base-Backbone interact. energy: -1.362
local terms energy: -522.747788
where:
bonds (distance) C4'-P energy: -106.333
bonds (distance) P-C4' energy: -88.633
flat angles C4'-P-C4' energy: -111.018
flat angles P-C4'-P energy: -66.282
tors. eta vs tors. theta energy: -150.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1496.753512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.753512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.753512 (E_RNA)
where:
Base-Base interactions energy: -1018.956
where: short stacking energy: -454.342
Base-Backbone interact. energy: -0.122
local terms energy: -477.675418
where:
bonds (distance) C4'-P energy: -81.545
bonds (distance) P-C4' energy: -97.857
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -73.980
tors. eta vs tors. theta energy: -119.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1302.921687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.921687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.921687 (E_RNA)
where:
Base-Base interactions energy: -878.136
where: short stacking energy: -380.983
Base-Backbone interact. energy: -1.845
local terms energy: -422.940482
where:
bonds (distance) C4'-P energy: -81.712
bonds (distance) P-C4' energy: -93.935
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -58.390
tors. eta vs tors. theta energy: -87.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1219.115841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.115841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.115841 (E_RNA)
where:
Base-Base interactions energy: -802.481
where: short stacking energy: -361.006
Base-Backbone interact. energy: 1.230
local terms energy: -417.864421
where:
bonds (distance) C4'-P energy: -90.772
bonds (distance) P-C4' energy: -103.250
flat angles C4'-P-C4' energy: -92.924
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -80.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -795.153851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.153851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.153851 (E_RNA)
where:
Base-Base interactions energy: -454.476
where: short stacking energy: -235.409
Base-Backbone interact. energy: 1.397
local terms energy: -342.075197
where:
bonds (distance) C4'-P energy: -62.871
bonds (distance) P-C4' energy: -96.761
flat angles C4'-P-C4' energy: -90.351
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -42.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -424.159521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.159521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.159521 (E_RNA)
where:
Base-Base interactions energy: -147.514
where: short stacking energy: -108.491
Base-Backbone interact. energy: -2.771
local terms energy: -273.874844
where:
bonds (distance) C4'-P energy: -77.112
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -89.048
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: 22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1907.158115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.158115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.158115 (E_RNA)
where:
Base-Base interactions energy: -1314.745
where: short stacking energy: -567.560
Base-Backbone interact. energy: -1.528
local terms energy: -590.885394
where:
bonds (distance) C4'-P energy: -99.509
bonds (distance) P-C4' energy: -110.534
flat angles C4'-P-C4' energy: -124.915
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -169.845
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: 439
Temperature: 0.950000
Total energy: -1754.747797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.747797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.747797 (E_RNA)
where:
Base-Base interactions energy: -1178.603
where: short stacking energy: -530.000
Base-Backbone interact. energy: -1.491
local terms energy: -574.654775
where:
bonds (distance) C4'-P energy: -119.232
bonds (distance) P-C4' energy: -113.797
flat angles C4'-P-C4' energy: -124.098
flat angles P-C4'-P energy: -71.580
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: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1769.989970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.989970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.989970 (E_RNA)
where:
Base-Base interactions energy: -1200.880
where: short stacking energy: -521.314
Base-Backbone interact. energy: -2.330
local terms energy: -566.779728
where:
bonds (distance) C4'-P energy: -85.430
bonds (distance) P-C4' energy: -110.285
flat angles C4'-P-C4' energy: -122.770
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -157.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1726.114901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.114901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.114901 (E_RNA)
where:
Base-Base interactions energy: -1184.475
where: short stacking energy: -536.135
Base-Backbone interact. energy: -2.582
local terms energy: -539.058098
where:
bonds (distance) C4'-P energy: -100.645
bonds (distance) P-C4' energy: -88.459
flat angles C4'-P-C4' energy: -118.915
flat angles P-C4'-P energy: -75.876
tors. eta vs tors. theta energy: -155.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1592.752298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.752298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.752298 (E_RNA)
where:
Base-Base interactions energy: -1072.932
where: short stacking energy: -454.037
Base-Backbone interact. energy: 2.223
local terms energy: -522.043354
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -107.173
flat angles C4'-P-C4' energy: -108.219
flat angles P-C4'-P energy: -69.061
tors. eta vs tors. theta energy: -141.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1496.689543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.689543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.689543 (E_RNA)
where:
Base-Base interactions energy: -984.577
where: short stacking energy: -417.364
Base-Backbone interact. energy: -2.115
local terms energy: -509.997528
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -110.070
flat angles C4'-P-C4' energy: -109.587
flat angles P-C4'-P energy: -83.913
tors. eta vs tors. theta energy: -110.883
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: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1327.943528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.943528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.943528 (E_RNA)
where:
Base-Base interactions energy: -906.324
where: short stacking energy: -408.601
Base-Backbone interact. energy: -2.677
local terms energy: -418.942550
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -95.369
flat angles C4'-P-C4' energy: -95.730
flat angles P-C4'-P energy: -56.957
tors. eta vs tors. theta energy: -99.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1229.570090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.570090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.570090 (E_RNA)
where:
Base-Base interactions energy: -786.042
where: short stacking energy: -335.583
Base-Backbone interact. energy: 0.581
local terms energy: -444.109158
where:
bonds (distance) C4'-P energy: -87.989
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -105.435
flat angles P-C4'-P energy: -59.995
tors. eta vs tors. theta energy: -94.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -838.004236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.004236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.004236 (E_RNA)
where:
Base-Base interactions energy: -513.978
where: short stacking energy: -233.191
Base-Backbone interact. energy: 6.495
local terms energy: -330.521169
where:
bonds (distance) C4'-P energy: -80.800
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -37.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -447.675090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.675090 (E_RNA)
where:
Base-Base interactions energy: -187.841
where: short stacking energy: -143.753
Base-Backbone interact. energy: 1.840
local terms energy: -261.674193
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -86.450
flat angles C4'-P-C4' energy: -73.329
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: 9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1901.959034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.959034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.959034 (E_RNA)
where:
Base-Base interactions energy: -1301.678
where: short stacking energy: -557.279
Base-Backbone interact. energy: -2.019
local terms energy: -598.261872
where:
bonds (distance) C4'-P energy: -108.390
bonds (distance) P-C4' energy: -114.495
flat angles C4'-P-C4' energy: -121.576
flat angles P-C4'-P energy: -78.480
tors. eta vs tors. theta energy: -175.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1763.814904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.814904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.814904 (E_RNA)
where:
Base-Base interactions energy: -1219.038
where: short stacking energy: -525.616
Base-Backbone interact. energy: 1.716
local terms energy: -546.492494
where:
bonds (distance) C4'-P energy: -112.572
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -123.863
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -143.654
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: 440
Temperature: 1.000000
Total energy: -1766.386936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.386936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.386936 (E_RNA)
where:
Base-Base interactions energy: -1214.652
where: short stacking energy: -509.838
Base-Backbone interact. energy: -4.125
local terms energy: -547.610090
where:
bonds (distance) C4'-P energy: -109.798
bonds (distance) P-C4' energy: -96.086
flat angles C4'-P-C4' energy: -116.095
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -151.853
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: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1741.636316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.636316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.636316 (E_RNA)
where:
Base-Base interactions energy: -1193.894
where: short stacking energy: -525.253
Base-Backbone interact. energy: -1.168
local terms energy: -546.573544
where:
bonds (distance) C4'-P energy: -98.091
bonds (distance) P-C4' energy: -93.221
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -83.585
tors. eta vs tors. theta energy: -161.467
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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1599.970756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.970756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.970756 (E_RNA)
where:
Base-Base interactions energy: -1059.057
where: short stacking energy: -476.074
Base-Backbone interact. energy: -2.148
local terms energy: -538.766346
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -104.948
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -85.266
tors. eta vs tors. theta energy: -132.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1463.262858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.262858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.262858 (E_RNA)
where:
Base-Base interactions energy: -980.939
where: short stacking energy: -446.094
Base-Backbone interact. energy: -0.794
local terms energy: -481.529939
where:
bonds (distance) C4'-P energy: -99.404
bonds (distance) P-C4' energy: -97.111
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -73.441
tors. eta vs tors. theta energy: -115.516
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: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1225.744463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.744463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.744463 (E_RNA)
where:
Base-Base interactions energy: -814.385
where: short stacking energy: -342.502
Base-Backbone interact. energy: -1.651
local terms energy: -409.708006
where:
bonds (distance) C4'-P energy: -80.959
bonds (distance) P-C4' energy: -87.831
flat angles C4'-P-C4' energy: -96.023
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -75.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1308.771846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.771846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.771846 (E_RNA)
where:
Base-Base interactions energy: -879.422
where: short stacking energy: -390.975
Base-Backbone interact. energy: -0.569
local terms energy: -428.780987
where:
bonds (distance) C4'-P energy: -82.113
bonds (distance) P-C4' energy: -106.855
flat angles C4'-P-C4' energy: -80.954
flat angles P-C4'-P energy: -66.220
tors. eta vs tors. theta energy: -92.640
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -769.218187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.218187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.218187 (E_RNA)
where:
Base-Base interactions energy: -436.391
where: short stacking energy: -227.527
Base-Backbone interact. energy: -1.941
local terms energy: -330.886299
where:
bonds (distance) C4'-P energy: -92.054
bonds (distance) P-C4' energy: -91.188
flat angles C4'-P-C4' energy: -76.067
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -420.063978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.063978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.063978 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -101.165
Base-Backbone interact. energy: 0.744
local terms energy: -281.330953
where:
bonds (distance) C4'-P energy: -79.007
bonds (distance) P-C4' energy: -93.347
flat angles C4'-P-C4' energy: -91.660
flat angles P-C4'-P energy: -50.554
tors. eta vs tors. theta energy: 33.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1907.142950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.142950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.142950 (E_RNA)
where:
Base-Base interactions energy: -1299.762
where: short stacking energy: -571.377
Base-Backbone interact. energy: -1.504
local terms energy: -605.876689
where:
bonds (distance) C4'-P energy: -105.562
bonds (distance) P-C4' energy: -118.883
flat angles C4'-P-C4' energy: -129.512
flat angles P-C4'-P energy: -82.384
tors. eta vs tors. theta energy: -169.536
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: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1778.140091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.140091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.140091 (E_RNA)
where:
Base-Base interactions energy: -1216.558
where: short stacking energy: -508.896
Base-Backbone interact. energy: -1.350
local terms energy: -560.231932
where:
bonds (distance) C4'-P energy: -106.031
bonds (distance) P-C4' energy: -108.902
flat angles C4'-P-C4' energy: -117.503
flat angles P-C4'-P energy: -78.484
tors. eta vs tors. theta energy: -149.311
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1718.351656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.351656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.351656 (E_RNA)
where:
Base-Base interactions energy: -1203.305
where: short stacking energy: -523.056
Base-Backbone interact. energy: -0.319
local terms energy: -514.727624
where:
bonds (distance) C4'-P energy: -90.821
bonds (distance) P-C4' energy: -89.923
flat angles C4'-P-C4' energy: -115.044
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -144.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1685.158325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.158325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.158325 (E_RNA)
where:
Base-Base interactions energy: -1136.790
where: short stacking energy: -506.691
Base-Backbone interact. energy: 1.155
local terms energy: -549.523921
where:
bonds (distance) C4'-P energy: -114.505
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -113.204
flat angles P-C4'-P energy: -73.440
tors. eta vs tors. theta energy: -149.368
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: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1614.987484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.987484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.987484 (E_RNA)
where:
Base-Base interactions energy: -1075.615
where: short stacking energy: -468.836
Base-Backbone interact. energy: -3.515
local terms energy: -535.857896
where:
bonds (distance) C4'-P energy: -108.748
bonds (distance) P-C4' energy: -95.927
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -79.833
tors. eta vs tors. theta energy: -138.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1506.599432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.599432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.599432 (E_RNA)
where:
Base-Base interactions energy: -1007.369
where: short stacking energy: -440.735
Base-Backbone interact. energy: -1.129
local terms energy: -498.101304
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -112.608
flat angles P-C4'-P energy: -78.709
tors. eta vs tors. theta energy: -118.910
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: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1279.832545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.832545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.832545 (E_RNA)
where:
Base-Base interactions energy: -850.535
where: short stacking energy: -350.291
Base-Backbone interact. energy: -3.204
local terms energy: -426.093184
where:
bonds (distance) C4'-P energy: -84.422
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -90.372
flat angles P-C4'-P energy: -67.283
tors. eta vs tors. theta energy: -84.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1280.160112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.160112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.160112 (E_RNA)
where:
Base-Base interactions energy: -825.813
where: short stacking energy: -335.322
Base-Backbone interact. energy: 0.953
local terms energy: -455.300218
where:
bonds (distance) C4'-P energy: -109.446
bonds (distance) P-C4' energy: -100.535
flat angles C4'-P-C4' energy: -97.619
flat angles P-C4'-P energy: -62.754
tors. eta vs tors. theta energy: -84.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -826.829503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.829503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.829503 (E_RNA)
where:
Base-Base interactions energy: -491.299
where: short stacking energy: -223.574
Base-Backbone interact. energy: 0.593
local terms energy: -336.123297
where:
bonds (distance) C4'-P energy: -72.807
bonds (distance) P-C4' energy: -86.708
flat angles C4'-P-C4' energy: -105.210
flat angles P-C4'-P energy: -49.607
tors. eta vs tors. theta energy: -21.792
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: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -428.608709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.608709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.608709 (E_RNA)
where:
Base-Base interactions energy: -154.037
where: short stacking energy: -135.172
Base-Backbone interact. energy: 1.681
local terms energy: -276.252593
where:
bonds (distance) C4'-P energy: -80.135
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -62.032
flat angles P-C4'-P energy: -39.373
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: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1925.537098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.537098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.537098 (E_RNA)
where:
Base-Base interactions energy: -1331.884
where: short stacking energy: -565.347
Base-Backbone interact. energy: -3.208
local terms energy: -590.445347
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -106.497
flat angles C4'-P-C4' energy: -118.998
flat angles P-C4'-P energy: -90.099
tors. eta vs tors. theta energy: -167.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1779.088282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.088282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.088282 (E_RNA)
where:
Base-Base interactions energy: -1222.359
where: short stacking energy: -506.235
Base-Backbone interact. energy: -2.501
local terms energy: -554.228042
where:
bonds (distance) C4'-P energy: -95.922
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -118.317
flat angles P-C4'-P energy: -87.807
tors. eta vs tors. theta energy: -153.798
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: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1732.128825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.128825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.128825 (E_RNA)
where:
Base-Base interactions energy: -1164.500
where: short stacking energy: -530.049
Base-Backbone interact. energy: -0.796
local terms energy: -566.833612
where:
bonds (distance) C4'-P energy: -90.003
bonds (distance) P-C4' energy: -115.667
flat angles C4'-P-C4' energy: -123.057
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -160.687
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: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1691.111950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.111950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.111950 (E_RNA)
where:
Base-Base interactions energy: -1171.038
where: short stacking energy: -528.031
Base-Backbone interact. energy: -0.381
local terms energy: -519.692743
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -92.974
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -65.998
tors. eta vs tors. theta energy: -154.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1577.937894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.937894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.937894 (E_RNA)
where:
Base-Base interactions energy: -1091.559
where: short stacking energy: -469.457
Base-Backbone interact. energy: -2.206
local terms energy: -484.172892
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -93.557
flat angles C4'-P-C4' energy: -108.894
flat angles P-C4'-P energy: -62.714
tors. eta vs tors. theta energy: -130.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1489.779014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.779014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.779014 (E_RNA)
where:
Base-Base interactions energy: -982.447
where: short stacking energy: -430.496
Base-Backbone interact. energy: -0.821
local terms energy: -506.510765
where:
bonds (distance) C4'-P energy: -100.933
bonds (distance) P-C4' energy: -105.324
flat angles C4'-P-C4' energy: -102.060
flat angles P-C4'-P energy: -82.562
tors. eta vs tors. theta energy: -115.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1247.127235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.127235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.127235 (E_RNA)
where:
Base-Base interactions energy: -824.216
where: short stacking energy: -351.315
Base-Backbone interact. energy: -1.885
local terms energy: -421.026215
where:
bonds (distance) C4'-P energy: -97.437
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -88.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1260.574020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.574020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.574020 (E_RNA)
where:
Base-Base interactions energy: -842.450
where: short stacking energy: -375.123
Base-Backbone interact. energy: 0.793
local terms energy: -418.916118
where:
bonds (distance) C4'-P energy: -81.713
bonds (distance) P-C4' energy: -82.171
flat angles C4'-P-C4' energy: -99.103
flat angles P-C4'-P energy: -66.783
tors. eta vs tors. theta energy: -89.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -779.304510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.304510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.304510 (E_RNA)
where:
Base-Base interactions energy: -445.949
where: short stacking energy: -232.216
Base-Backbone interact. energy: -2.011
local terms energy: -331.344489
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -87.594
flat angles C4'-P-C4' energy: -93.177
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -420.367076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.367076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.367076 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -109.731
Base-Backbone interact. energy: 0.580
local terms energy: -287.797697
where:
bonds (distance) C4'-P energy: -86.574
bonds (distance) P-C4' energy: -85.673
flat angles C4'-P-C4' energy: -78.624
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: 10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1908.381249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.381249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.381249 (E_RNA)
where:
Base-Base interactions energy: -1311.906
where: short stacking energy: -567.980
Base-Backbone interact. energy: -0.196
local terms energy: -596.279194
where:
bonds (distance) C4'-P energy: -107.510
bonds (distance) P-C4' energy: -104.136
flat angles C4'-P-C4' energy: -124.454
flat angles P-C4'-P energy: -83.911
tors. eta vs tors. theta energy: -176.268
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: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1803.697106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.697106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.697106 (E_RNA)
where:
Base-Base interactions energy: -1230.686
where: short stacking energy: -537.394
Base-Backbone interact. energy: -2.580
local terms energy: -570.431136
where:
bonds (distance) C4'-P energy: -101.194
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -121.009
flat angles P-C4'-P energy: -84.641
tors. eta vs tors. theta energy: -159.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1710.532420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.532420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.532420 (E_RNA)
where:
Base-Base interactions energy: -1173.333
where: short stacking energy: -509.635
Base-Backbone interact. energy: -0.699
local terms energy: -536.500206
where:
bonds (distance) C4'-P energy: -98.343
bonds (distance) P-C4' energy: -100.269
flat angles C4'-P-C4' energy: -114.830
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -161.614
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: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1671.937562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.937562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.937562 (E_RNA)
where:
Base-Base interactions energy: -1132.758
where: short stacking energy: -486.386
Base-Backbone interact. energy: -0.927
local terms energy: -538.252547
where:
bonds (distance) C4'-P energy: -108.180
bonds (distance) P-C4' energy: -99.537
flat angles C4'-P-C4' energy: -104.600
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -148.296
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: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1529.346723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.346723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.346723 (E_RNA)
where:
Base-Base interactions energy: -1046.845
where: short stacking energy: -457.338
Base-Backbone interact. energy: 0.512
local terms energy: -483.013101
where:
bonds (distance) C4'-P energy: -76.540
bonds (distance) P-C4' energy: -98.267
flat angles C4'-P-C4' energy: -109.673
flat angles P-C4'-P energy: -72.664
tors. eta vs tors. theta energy: -125.869
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: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1488.151632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.151632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.151632 (E_RNA)
where:
Base-Base interactions energy: -986.613
where: short stacking energy: -432.977
Base-Backbone interact. energy: 0.977
local terms energy: -502.514987
where:
bonds (distance) C4'-P energy: -89.625
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -106.655
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -121.438
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: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1249.008275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.008275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.008275 (E_RNA)
where:
Base-Base interactions energy: -842.240
where: short stacking energy: -367.813
Base-Backbone interact. energy: 1.153
local terms energy: -407.920953
where:
bonds (distance) C4'-P energy: -87.439
bonds (distance) P-C4' energy: -71.317
flat angles C4'-P-C4' energy: -100.586
flat angles P-C4'-P energy: -64.511
tors. eta vs tors. theta energy: -84.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1251.904593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.904593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.904593 (E_RNA)
where:
Base-Base interactions energy: -853.918
where: short stacking energy: -367.492
Base-Backbone interact. energy: -0.510
local terms energy: -397.476908
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -80.088
flat angles C4'-P-C4' energy: -100.717
flat angles P-C4'-P energy: -60.170
tors. eta vs tors. theta energy: -84.635
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: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -839.458263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.458263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.458263 (E_RNA)
where:
Base-Base interactions energy: -475.614
where: short stacking energy: -223.428
Base-Backbone interact. energy: 2.070
local terms energy: -365.914562
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -96.602
flat angles C4'-P-C4' energy: -99.014
flat angles P-C4'-P energy: -49.904
tors. eta vs tors. theta energy: -26.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -434.529394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.529394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.529394 (E_RNA)
where:
Base-Base interactions energy: -153.509
where: short stacking energy: -118.519
Base-Backbone interact. energy: -0.604
local terms energy: -280.415454
where:
bonds (distance) C4'-P energy: -91.962
bonds (distance) P-C4' energy: -91.560
flat angles C4'-P-C4' energy: -64.501
flat angles P-C4'-P energy: -49.779
tors. eta vs tors. theta energy: 17.386
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: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1905.283053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.283053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.283053 (E_RNA)
where:
Base-Base interactions energy: -1316.447
where: short stacking energy: -571.482
Base-Backbone interact. energy: -1.940
local terms energy: -586.895492
where:
bonds (distance) C4'-P energy: -105.744
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -120.686
flat angles P-C4'-P energy: -80.718
tors. eta vs tors. theta energy: -171.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1815.593886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.593886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.593886 (E_RNA)
where:
Base-Base interactions energy: -1244.035
where: short stacking energy: -571.545
Base-Backbone interact. energy: -2.011
local terms energy: -569.547292
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -106.726
flat angles C4'-P-C4' energy: -112.330
flat angles P-C4'-P energy: -79.763
tors. eta vs tors. theta energy: -169.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1710.186998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.186998 (E_RNA)
where:
Base-Base interactions energy: -1165.636
where: short stacking energy: -485.505
Base-Backbone interact. energy: -1.625
local terms energy: -542.925469
where:
bonds (distance) C4'-P energy: -93.035
bonds (distance) P-C4' energy: -104.093
flat angles C4'-P-C4' energy: -120.480
flat angles P-C4'-P energy: -72.834
tors. eta vs tors. theta energy: -152.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1701.932181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.932181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.932181 (E_RNA)
where:
Base-Base interactions energy: -1149.838
where: short stacking energy: -518.634
Base-Backbone interact. energy: -2.324
local terms energy: -549.770069
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -102.949
flat angles C4'-P-C4' energy: -110.157
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -153.925
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: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1568.700409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.700409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.700409 (E_RNA)
where:
Base-Base interactions energy: -1063.970
where: short stacking energy: -471.266
Base-Backbone interact. energy: -0.229
local terms energy: -504.501033
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -89.187
flat angles C4'-P-C4' energy: -123.234
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -125.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1425.458767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.458767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.458767 (E_RNA)
where:
Base-Base interactions energy: -965.112
where: short stacking energy: -435.556
Base-Backbone interact. energy: -0.327
local terms energy: -460.020299
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -95.106
flat angles C4'-P-C4' energy: -103.013
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: -110.813
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: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1211.072034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.072034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.072034 (E_RNA)
where:
Base-Base interactions energy: -766.527
where: short stacking energy: -339.017
Base-Backbone interact. energy: -0.486
local terms energy: -444.059184
where:
bonds (distance) C4'-P energy: -96.059
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -102.180
flat angles P-C4'-P energy: -71.663
tors. eta vs tors. theta energy: -77.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1338.006911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.006911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.006911 (E_RNA)
where:
Base-Base interactions energy: -910.339
where: short stacking energy: -380.750
Base-Backbone interact. energy: -0.465
local terms energy: -427.203321
where:
bonds (distance) C4'-P energy: -86.408
bonds (distance) P-C4' energy: -101.654
flat angles C4'-P-C4' energy: -96.839
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -86.900
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: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -824.505687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.505687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.505687 (E_RNA)
where:
Base-Base interactions energy: -500.831
where: short stacking energy: -230.942
Base-Backbone interact. energy: 1.490
local terms energy: -325.164635
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -80.993
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -427.530075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.530075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.530075 (E_RNA)
where:
Base-Base interactions energy: -152.580
where: short stacking energy: -119.730
Base-Backbone interact. energy: 3.594
local terms energy: -278.544383
where:
bonds (distance) C4'-P energy: -89.220
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -76.178
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: 20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1932.079997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.079997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.079997 (E_RNA)
where:
Base-Base interactions energy: -1341.223
where: short stacking energy: -569.871
Base-Backbone interact. energy: -2.737
local terms energy: -588.120112
where:
bonds (distance) C4'-P energy: -96.098
bonds (distance) P-C4' energy: -113.077
flat angles C4'-P-C4' energy: -129.033
flat angles P-C4'-P energy: -80.545
tors. eta vs tors. theta energy: -169.367
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: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1819.214305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.214305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.214305 (E_RNA)
where:
Base-Base interactions energy: -1250.144
where: short stacking energy: -565.405
Base-Backbone interact. energy: 0.158
local terms energy: -569.228119
where:
bonds (distance) C4'-P energy: -92.188
bonds (distance) P-C4' energy: -109.703
flat angles C4'-P-C4' energy: -121.867
flat angles P-C4'-P energy: -79.922
tors. eta vs tors. theta energy: -165.548
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: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1692.231615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.231615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.231615 (E_RNA)
where:
Base-Base interactions energy: -1136.523
where: short stacking energy: -522.797
Base-Backbone interact. energy: -1.974
local terms energy: -553.734616
where:
bonds (distance) C4'-P energy: -92.768
bonds (distance) P-C4' energy: -115.281
flat angles C4'-P-C4' energy: -115.206
flat angles P-C4'-P energy: -84.602
tors. eta vs tors. theta energy: -145.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1706.424320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.424320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.424320 (E_RNA)
where:
Base-Base interactions energy: -1141.737
where: short stacking energy: -521.602
Base-Backbone interact. energy: 1.109
local terms energy: -565.796327
where:
bonds (distance) C4'-P energy: -106.580
bonds (distance) P-C4' energy: -107.862
flat angles C4'-P-C4' energy: -118.904
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -155.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1538.043857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.043857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.043857 (E_RNA)
where:
Base-Base interactions energy: -1063.393
where: short stacking energy: -472.545
Base-Backbone interact. energy: -2.019
local terms energy: -472.631173
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -84.993
flat angles C4'-P-C4' energy: -106.485
flat angles P-C4'-P energy: -59.836
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: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1438.045888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.045888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.045888 (E_RNA)
where:
Base-Base interactions energy: -957.956
where: short stacking energy: -429.702
Base-Backbone interact. energy: 0.746
local terms energy: -480.835755
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -112.946
flat angles P-C4'-P energy: -69.876
tors. eta vs tors. theta energy: -121.439
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: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1283.312101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.312101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.312101 (E_RNA)
where:
Base-Base interactions energy: -895.217
where: short stacking energy: -375.930
Base-Backbone interact. energy: -2.649
local terms energy: -385.446580
where:
bonds (distance) C4'-P energy: -79.176
bonds (distance) P-C4' energy: -87.741
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -97.240
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: 445
Temperature: 1.250000
Total energy: -1295.335560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.335560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.335560 (E_RNA)
where:
Base-Base interactions energy: -847.511
where: short stacking energy: -359.910
Base-Backbone interact. energy: -2.464
local terms energy: -445.361069
where:
bonds (distance) C4'-P energy: -97.243
bonds (distance) P-C4' energy: -94.174
flat angles C4'-P-C4' energy: -104.331
flat angles P-C4'-P energy: -62.893
tors. eta vs tors. theta energy: -86.720
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -825.898883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.898883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.898883 (E_RNA)
where:
Base-Base interactions energy: -495.348
where: short stacking energy: -247.105
Base-Backbone interact. energy: -0.414
local terms energy: -330.136310
where:
bonds (distance) C4'-P energy: -70.200
bonds (distance) P-C4' energy: -90.618
flat angles C4'-P-C4' energy: -83.261
flat angles P-C4'-P energy: -49.706
tors. eta vs tors. theta energy: -36.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -473.442669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.442669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.442669 (E_RNA)
where:
Base-Base interactions energy: -186.022
where: short stacking energy: -147.077
Base-Backbone interact. energy: -1.495
local terms energy: -285.926137
where:
bonds (distance) C4'-P energy: -86.722
bonds (distance) P-C4' energy: -83.365
flat angles C4'-P-C4' energy: -74.888
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: 8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1890.078895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.078895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.078895 (E_RNA)
where:
Base-Base interactions energy: -1318.356
where: short stacking energy: -573.865
Base-Backbone interact. energy: -2.714
local terms energy: -569.008479
where:
bonds (distance) C4'-P energy: -97.711
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -85.675
tors. eta vs tors. theta energy: -167.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1791.190009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.190009 (E_RNA)
where:
Base-Base interactions energy: -1213.841
where: short stacking energy: -529.556
Base-Backbone interact. energy: -1.786
local terms energy: -575.563046
where:
bonds (distance) C4'-P energy: -94.839
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -125.030
flat angles P-C4'-P energy: -80.469
tors. eta vs tors. theta energy: -155.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1755.166673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.166673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.166673 (E_RNA)
where:
Base-Base interactions energy: -1174.987
where: short stacking energy: -523.093
Base-Backbone interact. energy: -2.520
local terms energy: -577.658862
where:
bonds (distance) C4'-P energy: -106.839
bonds (distance) P-C4' energy: -110.764
flat angles C4'-P-C4' energy: -120.150
flat angles P-C4'-P energy: -82.926
tors. eta vs tors. theta energy: -156.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1637.815028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.815028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.815028 (E_RNA)
where:
Base-Base interactions energy: -1120.319
where: short stacking energy: -487.386
Base-Backbone interact. energy: -1.188
local terms energy: -516.308596
where:
bonds (distance) C4'-P energy: -93.103
bonds (distance) P-C4' energy: -89.780
flat angles C4'-P-C4' energy: -112.541
flat angles P-C4'-P energy: -88.942
tors. eta vs tors. theta energy: -131.942
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: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1522.846256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.846256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.846256 (E_RNA)
where:
Base-Base interactions energy: -1055.885
where: short stacking energy: -466.910
Base-Backbone interact. energy: -1.034
local terms energy: -465.927549
where:
bonds (distance) C4'-P energy: -95.562
bonds (distance) P-C4' energy: -79.324
flat angles C4'-P-C4' energy: -106.792
flat angles P-C4'-P energy: -77.828
tors. eta vs tors. theta energy: -106.422
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: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1446.535445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.535445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.535445 (E_RNA)
where:
Base-Base interactions energy: -960.351
where: short stacking energy: -407.429
Base-Backbone interact. energy: 2.665
local terms energy: -488.849975
where:
bonds (distance) C4'-P energy: -87.645
bonds (distance) P-C4' energy: -102.187
flat angles C4'-P-C4' energy: -103.349
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -122.076
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1360.338949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.338949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.338949 (E_RNA)
where:
Base-Base interactions energy: -924.635
where: short stacking energy: -401.118
Base-Backbone interact. energy: -1.520
local terms energy: -434.184152
where:
bonds (distance) C4'-P energy: -96.601
bonds (distance) P-C4' energy: -81.449
flat angles C4'-P-C4' energy: -109.759
flat angles P-C4'-P energy: -54.020
tors. eta vs tors. theta energy: -92.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1241.064214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.064214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.064214 (E_RNA)
where:
Base-Base interactions energy: -859.811
where: short stacking energy: -357.505
Base-Backbone interact. energy: 0.596
local terms energy: -381.850092
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -92.928
flat angles C4'-P-C4' energy: -95.286
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -78.027
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: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -784.786813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.786813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.786813 (E_RNA)
where:
Base-Base interactions energy: -468.176
where: short stacking energy: -215.701
Base-Backbone interact. energy: 0.197
local terms energy: -316.807778
where:
bonds (distance) C4'-P energy: -97.937
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -72.566
flat angles P-C4'-P energy: -36.981
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -437.786671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.786671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.786671 (E_RNA)
where:
Base-Base interactions energy: -163.556
where: short stacking energy: -129.613
Base-Backbone interact. energy: -1.031
local terms energy: -273.199254
where:
bonds (distance) C4'-P energy: -80.573
bonds (distance) P-C4' energy: -77.673
flat angles C4'-P-C4' energy: -71.544
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: 10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1910.618232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.618232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.618232 (E_RNA)
where:
Base-Base interactions energy: -1329.640
where: short stacking energy: -582.403
Base-Backbone interact. energy: 0.400
local terms energy: -581.378615
where:
bonds (distance) C4'-P energy: -101.810
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -131.613
flat angles P-C4'-P energy: -85.092
tors. eta vs tors. theta energy: -167.142
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: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1776.504019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.504019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.504019 (E_RNA)
where:
Base-Base interactions energy: -1240.882
where: short stacking energy: -550.324
Base-Backbone interact. energy: -2.360
local terms energy: -533.261150
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -84.776
flat angles C4'-P-C4' energy: -115.219
flat angles P-C4'-P energy: -78.281
tors. eta vs tors. theta energy: -159.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1739.359965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.359965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.359965 (E_RNA)
where:
Base-Base interactions energy: -1171.384
where: short stacking energy: -516.160
Base-Backbone interact. energy: 0.043
local terms energy: -568.019599
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -100.587
flat angles C4'-P-C4' energy: -110.059
flat angles P-C4'-P energy: -85.707
tors. eta vs tors. theta energy: -157.155
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: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1673.449671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.449671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.449671 (E_RNA)
where:
Base-Base interactions energy: -1144.490
where: short stacking energy: -512.388
Base-Backbone interact. energy: -0.538
local terms energy: -528.421548
where:
bonds (distance) C4'-P energy: -95.630
bonds (distance) P-C4' energy: -97.017
flat angles C4'-P-C4' energy: -113.842
flat angles P-C4'-P energy: -78.076
tors. eta vs tors. theta energy: -143.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1531.245143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.245143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.245143 (E_RNA)
where:
Base-Base interactions energy: -1019.375
where: short stacking energy: -455.613
Base-Backbone interact. energy: 1.858
local terms energy: -513.728226
where:
bonds (distance) C4'-P energy: -94.354
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -99.739
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -132.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1429.232883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.232883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.232883 (E_RNA)
where:
Base-Base interactions energy: -969.809
where: short stacking energy: -427.801
Base-Backbone interact. energy: 1.029
local terms energy: -460.453188
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -115.170
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -109.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1408.086169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.086169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.086169 (E_RNA)
where:
Base-Base interactions energy: -933.802
where: short stacking energy: -385.061
Base-Backbone interact. energy: -4.824
local terms energy: -469.459954
where:
bonds (distance) C4'-P energy: -85.238
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -92.770
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: -109.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1147.174838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.174838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.174838 (E_RNA)
where:
Base-Base interactions energy: -759.676
where: short stacking energy: -321.583
Base-Backbone interact. energy: 4.435
local terms energy: -391.933901
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -80.555
flat angles C4'-P-C4' energy: -95.669
flat angles P-C4'-P energy: -74.481
tors. eta vs tors. theta energy: -63.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -767.933669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.933669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.933669 (E_RNA)
where:
Base-Base interactions energy: -433.798
where: short stacking energy: -219.971
Base-Backbone interact. energy: -1.198
local terms energy: -332.937657
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -98.805
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -25.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -470.648787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.648787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.648787 (E_RNA)
where:
Base-Base interactions energy: -172.394
where: short stacking energy: -120.946
Base-Backbone interact. energy: -1.610
local terms energy: -296.644512
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -101.278
flat angles C4'-P-C4' energy: -67.464
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: 18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1926.341994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.341994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.341994 (E_RNA)
where:
Base-Base interactions energy: -1327.379
where: short stacking energy: -567.904
Base-Backbone interact. energy: -2.329
local terms energy: -596.633990
where:
bonds (distance) C4'-P energy: -101.442
bonds (distance) P-C4' energy: -113.817
flat angles C4'-P-C4' energy: -135.717
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -163.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1756.959646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.959646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.959646 (E_RNA)
where:
Base-Base interactions energy: -1199.429
where: short stacking energy: -538.765
Base-Backbone interact. energy: -4.174
local terms energy: -553.357150
where:
bonds (distance) C4'-P energy: -104.033
bonds (distance) P-C4' energy: -88.144
flat angles C4'-P-C4' energy: -125.230
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -156.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1746.007548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.007548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.007548 (E_RNA)
where:
Base-Base interactions energy: -1178.669
where: short stacking energy: -533.357
Base-Backbone interact. energy: -0.744
local terms energy: -566.594966
where:
bonds (distance) C4'-P energy: -106.127
bonds (distance) P-C4' energy: -106.745
flat angles C4'-P-C4' energy: -113.689
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -158.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1690.215988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.215988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.215988 (E_RNA)
where:
Base-Base interactions energy: -1168.471
where: short stacking energy: -492.461
Base-Backbone interact. energy: -1.604
local terms energy: -520.140777
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -105.296
flat angles C4'-P-C4' energy: -114.272
flat angles P-C4'-P energy: -71.081
tors. eta vs tors. theta energy: -132.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1581.134576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.134576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.134576 (E_RNA)
where:
Base-Base interactions energy: -1079.499
where: short stacking energy: -490.395
Base-Backbone interact. energy: 7.176
local terms energy: -508.811721
where:
bonds (distance) C4'-P energy: -91.255
bonds (distance) P-C4' energy: -101.375
flat angles C4'-P-C4' energy: -110.395
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -136.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1448.338294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.338294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.338294 (E_RNA)
where:
Base-Base interactions energy: -976.166
where: short stacking energy: -413.287
Base-Backbone interact. energy: 1.188
local terms energy: -473.360785
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -91.824
flat angles C4'-P-C4' energy: -113.403
flat angles P-C4'-P energy: -64.443
tors. eta vs tors. theta energy: -110.936
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: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1435.316221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.316221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.316221 (E_RNA)
where:
Base-Base interactions energy: -962.003
where: short stacking energy: -426.204
Base-Backbone interact. energy: 1.559
local terms energy: -474.872684
where:
bonds (distance) C4'-P energy: -98.068
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -107.156
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -119.800
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: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1211.354542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.354542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.354542 (E_RNA)
where:
Base-Base interactions energy: -794.973
where: short stacking energy: -332.695
Base-Backbone interact. energy: -2.397
local terms energy: -413.985063
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -102.409
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -54.393
tors. eta vs tors. theta energy: -72.307
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -802.530792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.530792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.530792 (E_RNA)
where:
Base-Base interactions energy: -488.361
where: short stacking energy: -232.056
Base-Backbone interact. energy: 0.050
local terms energy: -314.219857
where:
bonds (distance) C4'-P energy: -73.880
bonds (distance) P-C4' energy: -83.458
flat angles C4'-P-C4' energy: -80.872
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -483.883123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.883123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.883123 (E_RNA)
where:
Base-Base interactions energy: -184.969
where: short stacking energy: -123.229
Base-Backbone interact. energy: 4.643
local terms energy: -303.557000
where:
bonds (distance) C4'-P energy: -79.830
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -84.828
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1926.926377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.926377 (E_RNA)
where:
Base-Base interactions energy: -1328.806
where: short stacking energy: -568.724
Base-Backbone interact. energy: -1.627
local terms energy: -596.493174
where:
bonds (distance) C4'-P energy: -106.809
bonds (distance) P-C4' energy: -114.186
flat angles C4'-P-C4' energy: -123.362
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -159.741
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: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1766.636875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.636875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.636875 (E_RNA)
where:
Base-Base interactions energy: -1199.926
where: short stacking energy: -529.406
Base-Backbone interact. energy: -0.802
local terms energy: -565.909766
where:
bonds (distance) C4'-P energy: -95.514
bonds (distance) P-C4' energy: -111.627
flat angles C4'-P-C4' energy: -118.570
flat angles P-C4'-P energy: -85.056
tors. eta vs tors. theta energy: -155.142
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: 449
Temperature: 1.000000
Total energy: -1723.985070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.985070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.985070 (E_RNA)
where:
Base-Base interactions energy: -1169.763
where: short stacking energy: -508.529
Base-Backbone interact. energy: -2.503
local terms energy: -551.718303
where:
bonds (distance) C4'-P energy: -105.603
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -118.060
flat angles P-C4'-P energy: -75.883
tors. eta vs tors. theta energy: -147.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1710.698898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.698898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.698898 (E_RNA)
where:
Base-Base interactions energy: -1178.234
where: short stacking energy: -514.408
Base-Backbone interact. energy: -0.402
local terms energy: -532.063634
where:
bonds (distance) C4'-P energy: -102.550
bonds (distance) P-C4' energy: -100.287
flat angles C4'-P-C4' energy: -114.002
flat angles P-C4'-P energy: -78.127
tors. eta vs tors. theta energy: -137.098
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: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1564.179522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.179522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.179522 (E_RNA)
where:
Base-Base interactions energy: -1052.594
where: short stacking energy: -476.679
Base-Backbone interact. energy: -0.956
local terms energy: -510.629243
where:
bonds (distance) C4'-P energy: -94.080
bonds (distance) P-C4' energy: -101.114
flat angles C4'-P-C4' energy: -104.548
flat angles P-C4'-P energy: -71.030
tors. eta vs tors. theta energy: -139.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1445.107917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.107917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.107917 (E_RNA)
where:
Base-Base interactions energy: -981.837
where: short stacking energy: -410.059
Base-Backbone interact. energy: 1.540
local terms energy: -464.810953
where:
bonds (distance) C4'-P energy: -96.017
bonds (distance) P-C4' energy: -90.669
flat angles C4'-P-C4' energy: -106.491
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -104.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1421.700195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.700195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.700195 (E_RNA)
where:
Base-Base interactions energy: -951.521
where: short stacking energy: -417.936
Base-Backbone interact. energy: -0.482
local terms energy: -469.697069
where:
bonds (distance) C4'-P energy: -95.122
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -101.848
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -107.742
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: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1212.966327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.966327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.966327 (E_RNA)
where:
Base-Base interactions energy: -810.693
where: short stacking energy: -339.333
Base-Backbone interact. energy: 2.404
local terms energy: -404.676965
where:
bonds (distance) C4'-P energy: -85.691
bonds (distance) P-C4' energy: -80.751
flat angles C4'-P-C4' energy: -86.770
flat angles P-C4'-P energy: -64.213
tors. eta vs tors. theta energy: -87.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -802.320437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.320437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.320437 (E_RNA)
where:
Base-Base interactions energy: -439.470
where: short stacking energy: -240.758
Base-Backbone interact. energy: 1.226
local terms energy: -364.076668
where:
bonds (distance) C4'-P energy: -80.050
bonds (distance) P-C4' energy: -96.598
flat angles C4'-P-C4' energy: -86.124
flat angles P-C4'-P energy: -47.380
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -425.888971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.888971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.888971 (E_RNA)
where:
Base-Base interactions energy: -175.800
where: short stacking energy: -137.660
Base-Backbone interact. energy: -1.481
local terms energy: -248.608066
where:
bonds (distance) C4'-P energy: -80.733
bonds (distance) P-C4' energy: -74.252
flat angles C4'-P-C4' energy: -91.416
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: 22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1914.303257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.303257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.303257 (E_RNA)
where:
Base-Base interactions energy: -1298.480
where: short stacking energy: -557.168
Base-Backbone interact. energy: -1.018
local terms energy: -614.804886
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -112.945
flat angles C4'-P-C4' energy: -134.113
flat angles P-C4'-P energy: -84.486
tors. eta vs tors. theta energy: -166.696
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: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1787.815907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.815907 (E_RNA)
where:
Base-Base interactions energy: -1215.522
where: short stacking energy: -536.628
Base-Backbone interact. energy: -0.288
local terms energy: -572.006136
where:
bonds (distance) C4'-P energy: -104.133
bonds (distance) P-C4' energy: -113.922
flat angles C4'-P-C4' energy: -118.880
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -161.608
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1748.845152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.845152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.845152 (E_RNA)
where:
Base-Base interactions energy: -1175.483
where: short stacking energy: -506.317
Base-Backbone interact. energy: -0.830
local terms energy: -572.531682
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -114.497
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -157.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1681.629776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.629776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.629776 (E_RNA)
where:
Base-Base interactions energy: -1153.596
where: short stacking energy: -497.261
Base-Backbone interact. energy: -3.271
local terms energy: -524.761949
where:
bonds (distance) C4'-P energy: -90.570
bonds (distance) P-C4' energy: -101.721
flat angles C4'-P-C4' energy: -117.144
flat angles P-C4'-P energy: -73.401
tors. eta vs tors. theta energy: -141.926
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: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1563.513544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.513544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.513544 (E_RNA)
where:
Base-Base interactions energy: -1071.258
where: short stacking energy: -487.886
Base-Backbone interact. energy: -1.857
local terms energy: -490.398425
where:
bonds (distance) C4'-P energy: -88.500
bonds (distance) P-C4' energy: -99.871
flat angles C4'-P-C4' energy: -106.542
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -127.609
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: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1410.721367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.721367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.721367 (E_RNA)
where:
Base-Base interactions energy: -929.334
where: short stacking energy: -408.792
Base-Backbone interact. energy: -1.107
local terms energy: -480.279894
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -103.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1389.153891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.153891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.153891 (E_RNA)
where:
Base-Base interactions energy: -926.289
where: short stacking energy: -404.798
Base-Backbone interact. energy: -1.052
local terms energy: -461.813300
where:
bonds (distance) C4'-P energy: -101.063
bonds (distance) P-C4' energy: -73.014
flat angles C4'-P-C4' energy: -104.582
flat angles P-C4'-P energy: -71.096
tors. eta vs tors. theta energy: -112.057
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: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1217.327827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.327827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.327827 (E_RNA)
where:
Base-Base interactions energy: -793.299
where: short stacking energy: -348.079
Base-Backbone interact. energy: 2.869
local terms energy: -426.898005
where:
bonds (distance) C4'-P energy: -94.001
bonds (distance) P-C4' energy: -96.312
flat angles C4'-P-C4' energy: -101.038
flat angles P-C4'-P energy: -64.622
tors. eta vs tors. theta energy: -70.925
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: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -796.950168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.950168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.950168 (E_RNA)
where:
Base-Base interactions energy: -415.686
where: short stacking energy: -228.319
Base-Backbone interact. energy: -3.075
local terms energy: -378.188307
where:
bonds (distance) C4'-P energy: -89.324
bonds (distance) P-C4' energy: -92.276
flat angles C4'-P-C4' energy: -87.764
flat angles P-C4'-P energy: -78.344
tors. eta vs tors. theta energy: -30.479
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: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -418.330061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.330061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.330061 (E_RNA)
where:
Base-Base interactions energy: -159.309
where: short stacking energy: -129.623
Base-Backbone interact. energy: -0.661
local terms energy: -258.360115
where:
bonds (distance) C4'-P energy: -89.803
bonds (distance) P-C4' energy: -81.900
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: 24.849
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: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1916.297797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.297797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.297797 (E_RNA)
where:
Base-Base interactions energy: -1303.350
where: short stacking energy: -564.653
Base-Backbone interact. energy: 0.800
local terms energy: -613.748694
where:
bonds (distance) C4'-P energy: -107.927
bonds (distance) P-C4' energy: -117.779
flat angles C4'-P-C4' energy: -128.616
flat angles P-C4'-P energy: -81.508
tors. eta vs tors. theta energy: -177.919
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: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1808.436443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.436443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.436443 (E_RNA)
where:
Base-Base interactions energy: -1240.575
where: short stacking energy: -558.188
Base-Backbone interact. energy: -0.903
local terms energy: -566.958353
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -117.763
flat angles P-C4'-P energy: -76.235
tors. eta vs tors. theta energy: -156.694
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: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1743.078043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.078043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.078043 (E_RNA)
where:
Base-Base interactions energy: -1196.257
where: short stacking energy: -537.087
Base-Backbone interact. energy: -1.778
local terms energy: -545.042635
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -110.655
flat angles P-C4'-P energy: -70.130
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1701.343444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.343444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.343444 (E_RNA)
where:
Base-Base interactions energy: -1163.103
where: short stacking energy: -520.630
Base-Backbone interact. energy: 2.066
local terms energy: -540.305884
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -98.325
flat angles C4'-P-C4' energy: -115.509
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -153.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1572.286688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.286688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.286688 (E_RNA)
where:
Base-Base interactions energy: -1064.584
where: short stacking energy: -463.171
Base-Backbone interact. energy: -2.890
local terms energy: -504.813179
where:
bonds (distance) C4'-P energy: -94.757
bonds (distance) P-C4' energy: -75.315
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -82.155
tors. eta vs tors. theta energy: -138.713
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: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1460.100989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.100989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.100989 (E_RNA)
where:
Base-Base interactions energy: -963.323
where: short stacking energy: -436.397
Base-Backbone interact. energy: -0.803
local terms energy: -495.975061
where:
bonds (distance) C4'-P energy: -92.080
bonds (distance) P-C4' energy: -111.402
flat angles C4'-P-C4' energy: -113.837
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -116.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1308.770224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.770224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.770224 (E_RNA)
where:
Base-Base interactions energy: -861.254
where: short stacking energy: -378.676
Base-Backbone interact. energy: -0.060
local terms energy: -447.456290
where:
bonds (distance) C4'-P energy: -88.056
bonds (distance) P-C4' energy: -92.085
flat angles C4'-P-C4' energy: -103.273
flat angles P-C4'-P energy: -55.029
tors. eta vs tors. theta energy: -109.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1209.016125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.016125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.016125 (E_RNA)
where:
Base-Base interactions energy: -772.653
where: short stacking energy: -344.588
Base-Backbone interact. energy: 1.155
local terms energy: -437.517670
where:
bonds (distance) C4'-P energy: -91.095
bonds (distance) P-C4' energy: -102.190
flat angles C4'-P-C4' energy: -90.689
flat angles P-C4'-P energy: -73.604
tors. eta vs tors. theta energy: -79.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -751.006745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.006745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.006745 (E_RNA)
where:
Base-Base interactions energy: -415.501
where: short stacking energy: -212.576
Base-Backbone interact. energy: -2.637
local terms energy: -332.868890
where:
bonds (distance) C4'-P energy: -65.313
bonds (distance) P-C4' energy: -103.931
flat angles C4'-P-C4' energy: -91.827
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -431.628362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.628362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.628362 (E_RNA)
where:
Base-Base interactions energy: -148.804
where: short stacking energy: -111.848
Base-Backbone interact. energy: 2.249
local terms energy: -285.073988
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: 25.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1927.508640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.508640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.508640 (E_RNA)
where:
Base-Base interactions energy: -1302.866
where: short stacking energy: -574.142
Base-Backbone interact. energy: -1.995
local terms energy: -622.648416
where:
bonds (distance) C4'-P energy: -114.346
bonds (distance) P-C4' energy: -120.761
flat angles C4'-P-C4' energy: -128.392
flat angles P-C4'-P energy: -95.317
tors. eta vs tors. theta energy: -163.833
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: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1791.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.519190 (E_RNA)
where:
Base-Base interactions energy: -1218.560
where: short stacking energy: -539.290
Base-Backbone interact. energy: -2.641
local terms energy: -570.317615
where:
bonds (distance) C4'-P energy: -109.792
bonds (distance) P-C4' energy: -101.651
flat angles C4'-P-C4' energy: -116.912
flat angles P-C4'-P energy: -78.298
tors. eta vs tors. theta energy: -163.665
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: 452
Temperature: 1.000000
Total energy: -1741.985293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.985293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.985293 (E_RNA)
where:
Base-Base interactions energy: -1185.404
where: short stacking energy: -529.344
Base-Backbone interact. energy: -2.434
local terms energy: -554.147672
where:
bonds (distance) C4'-P energy: -111.651
bonds (distance) P-C4' energy: -93.310
flat angles C4'-P-C4' energy: -116.115
flat angles P-C4'-P energy: -80.894
tors. eta vs tors. theta energy: -152.178
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: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1677.113980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.113980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.113980 (E_RNA)
where:
Base-Base interactions energy: -1132.035
where: short stacking energy: -497.382
Base-Backbone interact. energy: -2.180
local terms energy: -542.899342
where:
bonds (distance) C4'-P energy: -85.622
bonds (distance) P-C4' energy: -110.450
flat angles C4'-P-C4' energy: -117.462
flat angles P-C4'-P energy: -83.953
tors. eta vs tors. theta energy: -145.413
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: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1567.758286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.758286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.758286 (E_RNA)
where:
Base-Base interactions energy: -1086.822
where: short stacking energy: -469.766
Base-Backbone interact. energy: -1.095
local terms energy: -479.841197
where:
bonds (distance) C4'-P energy: -66.743
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -112.323
flat angles P-C4'-P energy: -76.543
tors. eta vs tors. theta energy: -131.277
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: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1497.439134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.439134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.439134 (E_RNA)
where:
Base-Base interactions energy: -1026.344
where: short stacking energy: -447.351
Base-Backbone interact. energy: -0.902
local terms energy: -470.193756
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -102.259
flat angles P-C4'-P energy: -73.214
tors. eta vs tors. theta energy: -116.487
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: 452
Temperature: 1.200000
Total energy: -1343.097861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.097861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.097861 (E_RNA)
where:
Base-Base interactions energy: -890.312
where: short stacking energy: -393.424
Base-Backbone interact. energy: -3.301
local terms energy: -449.485082
where:
bonds (distance) C4'-P energy: -96.704
bonds (distance) P-C4' energy: -87.361
flat angles C4'-P-C4' energy: -98.373
flat angles P-C4'-P energy: -66.018
tors. eta vs tors. theta energy: -101.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1206.147121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.147121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.147121 (E_RNA)
where:
Base-Base interactions energy: -790.241
where: short stacking energy: -333.457
Base-Backbone interact. energy: -5.253
local terms energy: -410.653525
where:
bonds (distance) C4'-P energy: -86.359
bonds (distance) P-C4' energy: -93.548
flat angles C4'-P-C4' energy: -97.080
flat angles P-C4'-P energy: -59.775
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -760.559207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.559207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.559207 (E_RNA)
where:
Base-Base interactions energy: -429.554
where: short stacking energy: -206.278
Base-Backbone interact. energy: 0.763
local terms energy: -331.768846
where:
bonds (distance) C4'-P energy: -82.804
bonds (distance) P-C4' energy: -86.386
flat angles C4'-P-C4' energy: -82.799
flat angles P-C4'-P energy: -59.944
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -434.378783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.378783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.378783 (E_RNA)
where:
Base-Base interactions energy: -161.662
where: short stacking energy: -115.728
Base-Backbone interact. energy: 3.482
local terms energy: -276.198635
where:
bonds (distance) C4'-P energy: -100.231
bonds (distance) P-C4' energy: -85.205
flat angles C4'-P-C4' energy: -77.484
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: 37.010
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1933.664507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.664507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.664507 (E_RNA)
where:
Base-Base interactions energy: -1339.083
where: short stacking energy: -580.395
Base-Backbone interact. energy: -1.323
local terms energy: -593.259296
where:
bonds (distance) C4'-P energy: -104.644
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -125.528
flat angles P-C4'-P energy: -81.958
tors. eta vs tors. theta energy: -174.951
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: 453
Temperature: 0.950000
Total energy: -1799.019742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.019742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.019742 (E_RNA)
where:
Base-Base interactions energy: -1203.952
where: short stacking energy: -541.216
Base-Backbone interact. energy: -0.562
local terms energy: -594.505117
where:
bonds (distance) C4'-P energy: -116.560
bonds (distance) P-C4' energy: -106.052
flat angles C4'-P-C4' energy: -132.424
flat angles P-C4'-P energy: -70.047
tors. eta vs tors. theta energy: -169.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1740.968749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.968749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.968749 (E_RNA)
where:
Base-Base interactions energy: -1174.388
where: short stacking energy: -509.171
Base-Backbone interact. energy: 2.853
local terms energy: -569.433664
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -116.479
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -79.828
tors. eta vs tors. theta energy: -160.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1687.691542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.691542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.691542 (E_RNA)
where:
Base-Base interactions energy: -1158.335
where: short stacking energy: -496.378
Base-Backbone interact. energy: -0.287
local terms energy: -529.069673
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -93.365
flat angles C4'-P-C4' energy: -125.915
flat angles P-C4'-P energy: -72.235
tors. eta vs tors. theta energy: -147.781
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: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1562.836937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.836937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.836937 (E_RNA)
where:
Base-Base interactions energy: -1068.451
where: short stacking energy: -462.303
Base-Backbone interact. energy: -2.317
local terms energy: -492.068664
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -93.103
flat angles C4'-P-C4' energy: -119.306
flat angles P-C4'-P energy: -70.317
tors. eta vs tors. theta energy: -118.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1484.202454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.202454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.202454 (E_RNA)
where:
Base-Base interactions energy: -1019.707
where: short stacking energy: -459.936
Base-Backbone interact. energy: -1.140
local terms energy: -463.355868
where:
bonds (distance) C4'-P energy: -76.818
bonds (distance) P-C4' energy: -96.543
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -124.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1346.170210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.170210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.170210 (E_RNA)
where:
Base-Base interactions energy: -894.918
where: short stacking energy: -393.367
Base-Backbone interact. energy: -1.899
local terms energy: -449.353437
where:
bonds (distance) C4'-P energy: -85.199
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -93.842
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: -100.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1171.342834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.342834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.342834 (E_RNA)
where:
Base-Base interactions energy: -780.518
where: short stacking energy: -332.884
Base-Backbone interact. energy: 5.029
local terms energy: -395.853526
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -95.744
flat angles C4'-P-C4' energy: -92.929
flat angles P-C4'-P energy: -48.451
tors. eta vs tors. theta energy: -73.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -775.211152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.211152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.211152 (E_RNA)
where:
Base-Base interactions energy: -455.858
where: short stacking energy: -233.214
Base-Backbone interact. energy: -1.365
local terms energy: -317.987713
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -79.426
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -433.284110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.284110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.284110 (E_RNA)
where:
Base-Base interactions energy: -138.939
where: short stacking energy: -113.644
Base-Backbone interact. energy: 2.587
local terms energy: -296.932324
where:
bonds (distance) C4'-P energy: -80.953
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -96.292
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: 17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1933.957687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.957687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.957687 (E_RNA)
where:
Base-Base interactions energy: -1342.801
where: short stacking energy: -585.582
Base-Backbone interact. energy: -2.171
local terms energy: -588.985889
where:
bonds (distance) C4'-P energy: -91.849
bonds (distance) P-C4' energy: -120.454
flat angles C4'-P-C4' energy: -118.541
flat angles P-C4'-P energy: -85.166
tors. eta vs tors. theta energy: -172.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1807.731364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.731364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.731364 (E_RNA)
where:
Base-Base interactions energy: -1219.256
where: short stacking energy: -534.560
Base-Backbone interact. energy: -0.597
local terms energy: -587.878130
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -114.420
flat angles P-C4'-P energy: -87.821
tors. eta vs tors. theta energy: -164.604
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: 454
Temperature: 1.000000
Total energy: -1747.916037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.916037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.916037 (E_RNA)
where:
Base-Base interactions energy: -1187.918
where: short stacking energy: -489.687
Base-Backbone interact. energy: -3.042
local terms energy: -556.956516
where:
bonds (distance) C4'-P energy: -105.930
bonds (distance) P-C4' energy: -96.810
flat angles C4'-P-C4' energy: -119.578
flat angles P-C4'-P energy: -85.630
tors. eta vs tors. theta energy: -149.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1703.898766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.898766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.898766 (E_RNA)
where:
Base-Base interactions energy: -1148.483
where: short stacking energy: -531.329
Base-Backbone interact. energy: 4.113
local terms energy: -559.529238
where:
bonds (distance) C4'-P energy: -107.557
bonds (distance) P-C4' energy: -90.806
flat angles C4'-P-C4' energy: -120.496
flat angles P-C4'-P energy: -85.983
tors. eta vs tors. theta energy: -154.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1549.282966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.282966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.282966 (E_RNA)
where:
Base-Base interactions energy: -1069.748
where: short stacking energy: -495.455
Base-Backbone interact. energy: 0.643
local terms energy: -480.177454
where:
bonds (distance) C4'-P energy: -89.751
bonds (distance) P-C4' energy: -89.122
flat angles C4'-P-C4' energy: -105.226
flat angles P-C4'-P energy: -61.965
tors. eta vs tors. theta energy: -134.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1443.790745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.790745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.790745 (E_RNA)
where:
Base-Base interactions energy: -955.615
where: short stacking energy: -409.502
Base-Backbone interact. energy: -0.148
local terms energy: -488.027860
where:
bonds (distance) C4'-P energy: -98.201
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -95.949
flat angles P-C4'-P energy: -65.637
tors. eta vs tors. theta energy: -112.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1385.536607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.536607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.536607 (E_RNA)
where:
Base-Base interactions energy: -927.688
where: short stacking energy: -406.218
Base-Backbone interact. energy: -1.180
local terms energy: -456.668712
where:
bonds (distance) C4'-P energy: -91.590
bonds (distance) P-C4' energy: -85.713
flat angles C4'-P-C4' energy: -107.629
flat angles P-C4'-P energy: -75.124
tors. eta vs tors. theta energy: -96.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1150.724818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.724818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.724818 (E_RNA)
where:
Base-Base interactions energy: -739.928
where: short stacking energy: -322.487
Base-Backbone interact. energy: -1.280
local terms energy: -409.516766
where:
bonds (distance) C4'-P energy: -80.247
bonds (distance) P-C4' energy: -104.402
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -64.089
tors. eta vs tors. theta energy: -66.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -754.070344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.070344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.070344 (E_RNA)
where:
Base-Base interactions energy: -437.463
where: short stacking energy: -233.416
Base-Backbone interact. energy: 3.302
local terms energy: -319.909805
where:
bonds (distance) C4'-P energy: -76.312
bonds (distance) P-C4' energy: -78.563
flat angles C4'-P-C4' energy: -82.362
flat angles P-C4'-P energy: -55.526
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -431.542576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.542576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.542576 (E_RNA)
where:
Base-Base interactions energy: -164.118
where: short stacking energy: -129.502
Base-Backbone interact. energy: 4.985
local terms energy: -272.408819
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -87.773
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -68.528
tors. eta vs tors. theta energy: 25.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1911.112954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.112954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.112954 (E_RNA)
where:
Base-Base interactions energy: -1331.112
where: short stacking energy: -553.334
Base-Backbone interact. energy: 0.447
local terms energy: -580.447640
where:
bonds (distance) C4'-P energy: -108.337
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -121.976
flat angles P-C4'-P energy: -84.040
tors. eta vs tors. theta energy: -158.357
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: 455
Temperature: 0.950000
Total energy: -1776.144318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.144318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.144318 (E_RNA)
where:
Base-Base interactions energy: -1200.865
where: short stacking energy: -532.612
Base-Backbone interact. energy: -2.570
local terms energy: -572.709148
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -111.630
flat angles C4'-P-C4' energy: -120.933
flat angles P-C4'-P energy: -86.417
tors. eta vs tors. theta energy: -155.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1723.456140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.456140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.456140 (E_RNA)
where:
Base-Base interactions energy: -1177.811
where: short stacking energy: -511.324
Base-Backbone interact. energy: -0.628
local terms energy: -545.017001
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -104.616
flat angles C4'-P-C4' energy: -112.971
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -152.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1673.454021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.454021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.454021 (E_RNA)
where:
Base-Base interactions energy: -1131.535
where: short stacking energy: -514.102
Base-Backbone interact. energy: -1.090
local terms energy: -540.829507
where:
bonds (distance) C4'-P energy: -83.881
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -123.152
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -161.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1544.992387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.992387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.992387 (E_RNA)
where:
Base-Base interactions energy: -1057.226
where: short stacking energy: -445.577
Base-Backbone interact. energy: 2.782
local terms energy: -490.548038
where:
bonds (distance) C4'-P energy: -91.239
bonds (distance) P-C4' energy: -96.111
flat angles C4'-P-C4' energy: -114.842
flat angles P-C4'-P energy: -68.396
tors. eta vs tors. theta energy: -119.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1449.026969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.026969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.026969 (E_RNA)
where:
Base-Base interactions energy: -959.614
where: short stacking energy: -409.095
Base-Backbone interact. energy: -2.070
local terms energy: -487.343277
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -97.513
flat angles C4'-P-C4' energy: -114.984
flat angles P-C4'-P energy: -58.206
tors. eta vs tors. theta energy: -115.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1320.212306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.212306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.212306 (E_RNA)
where:
Base-Base interactions energy: -885.541
where: short stacking energy: -383.247
Base-Backbone interact. energy: 2.198
local terms energy: -436.869690
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -92.221
flat angles C4'-P-C4' energy: -98.395
flat angles P-C4'-P energy: -66.002
tors. eta vs tors. theta energy: -98.435
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1145.207653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.207653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.207653 (E_RNA)
where:
Base-Base interactions energy: -752.485
where: short stacking energy: -338.591
Base-Backbone interact. energy: -0.958
local terms energy: -391.764467
where:
bonds (distance) C4'-P energy: -82.476
bonds (distance) P-C4' energy: -84.733
flat angles C4'-P-C4' energy: -94.531
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -68.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -671.777656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.777656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.777656 (E_RNA)
where:
Base-Base interactions energy: -348.172
where: short stacking energy: -217.454
Base-Backbone interact. energy: -1.827
local terms energy: -321.778912
where:
bonds (distance) C4'-P energy: -77.557
bonds (distance) P-C4' energy: -102.228
flat angles C4'-P-C4' energy: -82.614
flat angles P-C4'-P energy: -58.331
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -442.929460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.929460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.929460 (E_RNA)
where:
Base-Base interactions energy: -166.731
where: short stacking energy: -143.552
Base-Backbone interact. energy: -1.488
local terms energy: -274.710244
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -49.725
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1905.978861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.978861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.978861 (E_RNA)
where:
Base-Base interactions energy: -1314.262
where: short stacking energy: -560.941
Base-Backbone interact. energy: -1.534
local terms energy: -590.183047
where:
bonds (distance) C4'-P energy: -108.750
bonds (distance) P-C4' energy: -104.236
flat angles C4'-P-C4' energy: -124.989
flat angles P-C4'-P energy: -87.461
tors. eta vs tors. theta energy: -164.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1747.672509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.672509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.672509 (E_RNA)
where:
Base-Base interactions energy: -1207.443
where: short stacking energy: -539.197
Base-Backbone interact. energy: -3.083
local terms energy: -537.146380
where:
bonds (distance) C4'-P energy: -90.243
bonds (distance) P-C4' energy: -107.336
flat angles C4'-P-C4' energy: -118.593
flat angles P-C4'-P energy: -77.862
tors. eta vs tors. theta energy: -143.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1757.127213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.127213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.127213 (E_RNA)
where:
Base-Base interactions energy: -1183.785
where: short stacking energy: -517.017
Base-Backbone interact. energy: -1.122
local terms energy: -572.219628
where:
bonds (distance) C4'-P energy: -108.501
bonds (distance) P-C4' energy: -115.324
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -79.875
tors. eta vs tors. theta energy: -154.267
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: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1690.567770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.567770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.567770 (E_RNA)
where:
Base-Base interactions energy: -1133.717
where: short stacking energy: -496.532
Base-Backbone interact. energy: -1.459
local terms energy: -555.392175
where:
bonds (distance) C4'-P energy: -100.687
bonds (distance) P-C4' energy: -105.940
flat angles C4'-P-C4' energy: -113.808
flat angles P-C4'-P energy: -82.189
tors. eta vs tors. theta energy: -152.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1560.861211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.861211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.861211 (E_RNA)
where:
Base-Base interactions energy: -1055.781
where: short stacking energy: -461.925
Base-Backbone interact. energy: 0.325
local terms energy: -505.405122
where:
bonds (distance) C4'-P energy: -103.583
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -70.599
tors. eta vs tors. theta energy: -133.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1434.254141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.254141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.254141 (E_RNA)
where:
Base-Base interactions energy: -952.862
where: short stacking energy: -392.954
Base-Backbone interact. energy: -1.211
local terms energy: -480.181570
where:
bonds (distance) C4'-P energy: -92.212
bonds (distance) P-C4' energy: -106.211
flat angles C4'-P-C4' energy: -104.876
flat angles P-C4'-P energy: -64.570
tors. eta vs tors. theta energy: -112.313
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: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1327.102808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.102808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.102808 (E_RNA)
where:
Base-Base interactions energy: -880.286
where: short stacking energy: -371.398
Base-Backbone interact. energy: -3.132
local terms energy: -443.685314
where:
bonds (distance) C4'-P energy: -79.718
bonds (distance) P-C4' energy: -98.261
flat angles C4'-P-C4' energy: -101.581
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -96.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1086.281114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.281114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.281114 (E_RNA)
where:
Base-Base interactions energy: -724.116
where: short stacking energy: -324.698
Base-Backbone interact. energy: 3.335
local terms energy: -365.499428
where:
bonds (distance) C4'-P energy: -72.185
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -80.808
flat angles P-C4'-P energy: -64.517
tors. eta vs tors. theta energy: -53.955
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: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -734.577925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.577925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.577925 (E_RNA)
where:
Base-Base interactions energy: -389.111
where: short stacking energy: -205.382
Base-Backbone interact. energy: -2.262
local terms energy: -343.205098
where:
bonds (distance) C4'-P energy: -85.107
bonds (distance) P-C4' energy: -107.177
flat angles C4'-P-C4' energy: -92.108
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -19.171
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: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -441.044385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.044385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.044385 (E_RNA)
where:
Base-Base interactions energy: -185.374
where: short stacking energy: -148.167
Base-Backbone interact. energy: -1.095
local terms energy: -254.574742
where:
bonds (distance) C4'-P energy: -74.336
bonds (distance) P-C4' energy: -85.213
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: 10.694
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: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1902.366054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.366054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.366054 (E_RNA)
where:
Base-Base interactions energy: -1306.570
where: short stacking energy: -564.047
Base-Backbone interact. energy: -2.462
local terms energy: -593.333503
where:
bonds (distance) C4'-P energy: -117.820
bonds (distance) P-C4' energy: -111.164
flat angles C4'-P-C4' energy: -123.767
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -162.763
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: 457
Temperature: 0.950000
Total energy: -1787.628881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.628881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.628881 (E_RNA)
where:
Base-Base interactions energy: -1190.615
where: short stacking energy: -547.189
Base-Backbone interact. energy: -1.714
local terms energy: -595.299942
where:
bonds (distance) C4'-P energy: -121.690
bonds (distance) P-C4' energy: -94.853
flat angles C4'-P-C4' energy: -127.199
flat angles P-C4'-P energy: -79.691
tors. eta vs tors. theta energy: -171.867
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1736.566347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.566347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.566347 (E_RNA)
where:
Base-Base interactions energy: -1184.119
where: short stacking energy: -513.923
Base-Backbone interact. energy: -1.614
local terms energy: -550.834164
where:
bonds (distance) C4'-P energy: -113.015
bonds (distance) P-C4' energy: -104.277
flat angles C4'-P-C4' energy: -115.711
flat angles P-C4'-P energy: -80.337
tors. eta vs tors. theta energy: -137.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1594.451351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.451351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.451351 (E_RNA)
where:
Base-Base interactions energy: -1079.784
where: short stacking energy: -475.960
Base-Backbone interact. energy: -0.146
local terms energy: -514.521282
where:
bonds (distance) C4'-P energy: -95.827
bonds (distance) P-C4' energy: -98.809
flat angles C4'-P-C4' energy: -112.658
flat angles P-C4'-P energy: -66.892
tors. eta vs tors. theta energy: -140.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1636.007692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.007692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.007692 (E_RNA)
where:
Base-Base interactions energy: -1107.474
where: short stacking energy: -478.322
Base-Backbone interact. energy: 6.295
local terms energy: -534.828752
where:
bonds (distance) C4'-P energy: -108.471
bonds (distance) P-C4' energy: -88.207
flat angles C4'-P-C4' energy: -113.153
flat angles P-C4'-P energy: -83.319
tors. eta vs tors. theta energy: -141.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1442.156132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.156132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.156132 (E_RNA)
where:
Base-Base interactions energy: -953.182
where: short stacking energy: -418.483
Base-Backbone interact. energy: -3.243
local terms energy: -485.731479
where:
bonds (distance) C4'-P energy: -93.675
bonds (distance) P-C4' energy: -101.003
flat angles C4'-P-C4' energy: -101.999
flat angles P-C4'-P energy: -73.309
tors. eta vs tors. theta energy: -115.746
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1312.231309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.231309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.231309 (E_RNA)
where:
Base-Base interactions energy: -881.268
where: short stacking energy: -383.360
Base-Backbone interact. energy: 5.795
local terms energy: -436.758245
where:
bonds (distance) C4'-P energy: -84.350
bonds (distance) P-C4' energy: -110.075
flat angles C4'-P-C4' energy: -97.959
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -98.408
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1124.917233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.917233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.917233 (E_RNA)
where:
Base-Base interactions energy: -733.550
where: short stacking energy: -308.748
Base-Backbone interact. energy: -2.697
local terms energy: -388.670609
where:
bonds (distance) C4'-P energy: -90.475
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -91.733
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -55.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -709.227260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.227260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.227260 (E_RNA)
where:
Base-Base interactions energy: -391.062
where: short stacking energy: -201.971
Base-Backbone interact. energy: 4.128
local terms energy: -322.292658
where:
bonds (distance) C4'-P energy: -96.098
bonds (distance) P-C4' energy: -100.236
flat angles C4'-P-C4' energy: -82.986
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -422.926019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.926019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.926019 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -109.440
Base-Backbone interact. energy: -1.945
local terms energy: -272.058964
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -73.107
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: 21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1917.925936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.925936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.925936 (E_RNA)
where:
Base-Base interactions energy: -1349.199
where: short stacking energy: -568.051
Base-Backbone interact. energy: 2.731
local terms energy: -571.457721
where:
bonds (distance) C4'-P energy: -100.743
bonds (distance) P-C4' energy: -99.055
flat angles C4'-P-C4' energy: -118.525
flat angles P-C4'-P energy: -92.485
tors. eta vs tors. theta energy: -160.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1813.466394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.466394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.466394 (E_RNA)
where:
Base-Base interactions energy: -1248.505
where: short stacking energy: -562.501
Base-Backbone interact. energy: -0.733
local terms energy: -564.227738
where:
bonds (distance) C4'-P energy: -104.922
bonds (distance) P-C4' energy: -97.550
flat angles C4'-P-C4' energy: -122.447
flat angles P-C4'-P energy: -75.044
tors. eta vs tors. theta energy: -164.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1727.079003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.079003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.079003 (E_RNA)
where:
Base-Base interactions energy: -1184.559
where: short stacking energy: -505.264
Base-Backbone interact. energy: -3.372
local terms energy: -539.147932
where:
bonds (distance) C4'-P energy: -103.087
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -121.053
flat angles P-C4'-P energy: -72.022
tors. eta vs tors. theta energy: -143.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1606.705762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.705762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.705762 (E_RNA)
where:
Base-Base interactions energy: -1074.590
where: short stacking energy: -466.535
Base-Backbone interact. energy: -3.251
local terms energy: -528.864310
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -108.491
flat angles P-C4'-P energy: -78.495
tors. eta vs tors. theta energy: -138.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1638.178061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.178061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.178061 (E_RNA)
where:
Base-Base interactions energy: -1105.039
where: short stacking energy: -474.384
Base-Backbone interact. energy: 1.172
local terms energy: -534.311639
where:
bonds (distance) C4'-P energy: -106.401
bonds (distance) P-C4' energy: -92.164
flat angles C4'-P-C4' energy: -116.759
flat angles P-C4'-P energy: -71.661
tors. eta vs tors. theta energy: -147.327
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: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1428.322604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.322604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.322604 (E_RNA)
where:
Base-Base interactions energy: -965.135
where: short stacking energy: -421.950
Base-Backbone interact. energy: 0.175
local terms energy: -463.362680
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -86.723
flat angles C4'-P-C4' energy: -114.678
flat angles P-C4'-P energy: -64.749
tors. eta vs tors. theta energy: -114.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1328.381723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.381723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.381723 (E_RNA)
where:
Base-Base interactions energy: -874.802
where: short stacking energy: -372.298
Base-Backbone interact. energy: -0.908
local terms energy: -452.672309
where:
bonds (distance) C4'-P energy: -99.372
bonds (distance) P-C4' energy: -84.858
flat angles C4'-P-C4' energy: -110.559
flat angles P-C4'-P energy: -63.821
tors. eta vs tors. theta energy: -94.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1192.101225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.101225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.101225 (E_RNA)
where:
Base-Base interactions energy: -785.283
where: short stacking energy: -348.554
Base-Backbone interact. energy: 2.593
local terms energy: -409.411068
where:
bonds (distance) C4'-P energy: -89.869
bonds (distance) P-C4' energy: -100.580
flat angles C4'-P-C4' energy: -86.435
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -79.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -723.304272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.304272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.304272 (E_RNA)
where:
Base-Base interactions energy: -391.006
where: short stacking energy: -208.762
Base-Backbone interact. energy: 1.589
local terms energy: -333.886928
where:
bonds (distance) C4'-P energy: -79.544
bonds (distance) P-C4' energy: -96.630
flat angles C4'-P-C4' energy: -84.848
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -438.574224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.574224 (E_RNA)
where:
Base-Base interactions energy: -136.604
where: short stacking energy: -122.575
Base-Backbone interact. energy: 1.505
local terms energy: -303.475691
where:
bonds (distance) C4'-P energy: -83.767
bonds (distance) P-C4' energy: -108.585
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: 6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1896.365338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.365338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.365338 (E_RNA)
where:
Base-Base interactions energy: -1305.988
where: short stacking energy: -557.526
Base-Backbone interact. energy: 0.367
local terms energy: -590.744521
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -96.987
flat angles C4'-P-C4' energy: -118.138
flat angles P-C4'-P energy: -98.631
tors. eta vs tors. theta energy: -166.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1808.646918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.646918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.646918 (E_RNA)
where:
Base-Base interactions energy: -1246.113
where: short stacking energy: -541.671
Base-Backbone interact. energy: -0.247
local terms energy: -562.287143
where:
bonds (distance) C4'-P energy: -112.397
bonds (distance) P-C4' energy: -90.576
flat angles C4'-P-C4' energy: -118.779
flat angles P-C4'-P energy: -80.263
tors. eta vs tors. theta energy: -160.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1759.146237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.146237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.146237 (E_RNA)
where:
Base-Base interactions energy: -1189.094
where: short stacking energy: -493.903
Base-Backbone interact. energy: 0.261
local terms energy: -570.313041
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -101.777
flat angles C4'-P-C4' energy: -123.058
flat angles P-C4'-P energy: -85.822
tors. eta vs tors. theta energy: -148.242
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: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1684.688388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.688388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.688388 (E_RNA)
where:
Base-Base interactions energy: -1155.095
where: short stacking energy: -507.566
Base-Backbone interact. energy: -2.487
local terms energy: -527.106857
where:
bonds (distance) C4'-P energy: -85.581
bonds (distance) P-C4' energy: -94.667
flat angles C4'-P-C4' energy: -120.864
flat angles P-C4'-P energy: -75.568
tors. eta vs tors. theta energy: -150.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1579.152114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.152114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.152114 (E_RNA)
where:
Base-Base interactions energy: -1067.205
where: short stacking energy: -478.219
Base-Backbone interact. energy: -1.733
local terms energy: -510.213610
where:
bonds (distance) C4'-P energy: -85.217
bonds (distance) P-C4' energy: -98.672
flat angles C4'-P-C4' energy: -117.184
flat angles P-C4'-P energy: -77.884
tors. eta vs tors. theta energy: -131.257
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: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1492.982568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.982568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.982568 (E_RNA)
where:
Base-Base interactions energy: -1011.187
where: short stacking energy: -428.606
Base-Backbone interact. energy: -2.301
local terms energy: -479.493876
where:
bonds (distance) C4'-P energy: -97.660
bonds (distance) P-C4' energy: -94.451
flat angles C4'-P-C4' energy: -100.156
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -125.256
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: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1329.807869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.807869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.807869 (E_RNA)
where:
Base-Base interactions energy: -864.721
where: short stacking energy: -360.442
Base-Backbone interact. energy: -0.385
local terms energy: -464.701488
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -111.092
flat angles P-C4'-P energy: -67.536
tors. eta vs tors. theta energy: -89.669
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: 459
Temperature: 1.250000
Total energy: -1186.113156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.113156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.113156 (E_RNA)
where:
Base-Base interactions energy: -763.396
where: short stacking energy: -337.358
Base-Backbone interact. energy: -3.713
local terms energy: -419.003977
where:
bonds (distance) C4'-P energy: -84.485
bonds (distance) P-C4' energy: -96.920
flat angles C4'-P-C4' energy: -95.115
flat angles P-C4'-P energy: -69.466
tors. eta vs tors. theta energy: -73.018
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: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -796.017606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.017606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.017606 (E_RNA)
where:
Base-Base interactions energy: -454.586
where: short stacking energy: -224.089
Base-Backbone interact. energy: -1.944
local terms energy: -339.486947
where:
bonds (distance) C4'-P energy: -88.062
bonds (distance) P-C4' energy: -95.372
flat angles C4'-P-C4' energy: -89.034
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -422.861282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.861282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.861282 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -132.061
Base-Backbone interact. energy: -0.084
local terms energy: -271.829062
where:
bonds (distance) C4'-P energy: -76.531
bonds (distance) P-C4' energy: -88.332
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -58.213
tors. eta vs tors. theta energy: 23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1912.453676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.453676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.453676 (E_RNA)
where:
Base-Base interactions energy: -1320.603
where: short stacking energy: -597.452
Base-Backbone interact. energy: -2.581
local terms energy: -589.269070
where:
bonds (distance) C4'-P energy: -104.919
bonds (distance) P-C4' energy: -109.130
flat angles C4'-P-C4' energy: -123.747
flat angles P-C4'-P energy: -79.772
tors. eta vs tors. theta energy: -171.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1773.657591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.657591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.657591 (E_RNA)
where:
Base-Base interactions energy: -1220.849
where: short stacking energy: -522.155
Base-Backbone interact. energy: 5.767
local terms energy: -558.575517
where:
bonds (distance) C4'-P energy: -99.499
bonds (distance) P-C4' energy: -108.575
flat angles C4'-P-C4' energy: -116.599
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -150.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1706.530580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.530580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.530580 (E_RNA)
where:
Base-Base interactions energy: -1162.096
where: short stacking energy: -506.547
Base-Backbone interact. energy: -1.871
local terms energy: -542.563396
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -93.187
flat angles C4'-P-C4' energy: -122.571
flat angles P-C4'-P energy: -70.619
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: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1751.472840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.472840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.472840 (E_RNA)
where:
Base-Base interactions energy: -1198.698
where: short stacking energy: -536.046
Base-Backbone interact. energy: -1.333
local terms energy: -551.441636
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -96.781
flat angles C4'-P-C4' energy: -110.282
flat angles P-C4'-P energy: -80.088
tors. eta vs tors. theta energy: -161.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1616.374614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.374614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.374614 (E_RNA)
where:
Base-Base interactions energy: -1086.379
where: short stacking energy: -477.578
Base-Backbone interact. energy: -0.740
local terms energy: -529.255500
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -100.337
flat angles C4'-P-C4' energy: -116.018
flat angles P-C4'-P energy: -68.578
tors. eta vs tors. theta energy: -140.569
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: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1462.112776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.112776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.112776 (E_RNA)
where:
Base-Base interactions energy: -984.015
where: short stacking energy: -400.934
Base-Backbone interact. energy: -3.199
local terms energy: -474.899126
where:
bonds (distance) C4'-P energy: -85.026
bonds (distance) P-C4' energy: -96.899
flat angles C4'-P-C4' energy: -98.418
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -119.833
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: 460
Temperature: 1.200000
Total energy: -1351.883279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.883279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.883279 (E_RNA)
where:
Base-Base interactions energy: -893.655
where: short stacking energy: -381.974
Base-Backbone interact. energy: -0.805
local terms energy: -457.423253
where:
bonds (distance) C4'-P energy: -83.148
bonds (distance) P-C4' energy: -112.885
flat angles C4'-P-C4' energy: -102.175
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -102.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1158.017270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.017270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.017270 (E_RNA)
where:
Base-Base interactions energy: -773.002
where: short stacking energy: -343.665
Base-Backbone interact. energy: -1.775
local terms energy: -383.240262
where:
bonds (distance) C4'-P energy: -80.720
bonds (distance) P-C4' energy: -85.657
flat angles C4'-P-C4' energy: -81.810
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -82.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -768.844146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.844146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.844146 (E_RNA)
where:
Base-Base interactions energy: -453.098
where: short stacking energy: -217.176
Base-Backbone interact. energy: 1.436
local terms energy: -317.181976
where:
bonds (distance) C4'-P energy: -86.010
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -77.584
flat angles P-C4'-P energy: -34.164
tors. eta vs tors. theta energy: -28.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -412.108300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.108300 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -127.975
Base-Backbone interact. energy: 0.107
local terms energy: -267.837741
where:
bonds (distance) C4'-P energy: -86.009
bonds (distance) P-C4' energy: -87.493
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: 15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1919.727890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.727890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.727890 (E_RNA)
where:
Base-Base interactions energy: -1325.284
where: short stacking energy: -556.920
Base-Backbone interact. energy: -2.728
local terms energy: -591.715766
where:
bonds (distance) C4'-P energy: -109.170
bonds (distance) P-C4' energy: -107.364
flat angles C4'-P-C4' energy: -121.693
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -170.308
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: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1760.233332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.233332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.233332 (E_RNA)
where:
Base-Base interactions energy: -1190.246
where: short stacking energy: -526.369
Base-Backbone interact. energy: -3.304
local terms energy: -566.683175
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -114.653
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -151.721
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: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1741.443078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.443078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.443078 (E_RNA)
where:
Base-Base interactions energy: -1184.601
where: short stacking energy: -521.571
Base-Backbone interact. energy: -2.154
local terms energy: -554.688375
where:
bonds (distance) C4'-P energy: -102.630
bonds (distance) P-C4' energy: -105.894
flat angles C4'-P-C4' energy: -121.221
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -148.514
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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1719.225548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.225548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.225548 (E_RNA)
where:
Base-Base interactions energy: -1143.036
where: short stacking energy: -509.409
Base-Backbone interact. energy: 0.162
local terms energy: -576.351011
where:
bonds (distance) C4'-P energy: -113.521
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -108.034
flat angles P-C4'-P energy: -83.255
tors. eta vs tors. theta energy: -159.635
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: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1614.248334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.248334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.248334 (E_RNA)
where:
Base-Base interactions energy: -1126.913
where: short stacking energy: -502.254
Base-Backbone interact. energy: 1.441
local terms energy: -488.776072
where:
bonds (distance) C4'-P energy: -80.042
bonds (distance) P-C4' energy: -93.230
flat angles C4'-P-C4' energy: -114.616
flat angles P-C4'-P energy: -64.483
tors. eta vs tors. theta energy: -136.404
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: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1453.941758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.941758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.941758 (E_RNA)
where:
Base-Base interactions energy: -994.225
where: short stacking energy: -425.162
Base-Backbone interact. energy: 0.569
local terms energy: -460.285375
where:
bonds (distance) C4'-P energy: -93.336
bonds (distance) P-C4' energy: -74.673
flat angles C4'-P-C4' energy: -101.279
flat angles P-C4'-P energy: -74.890
tors. eta vs tors. theta energy: -116.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1322.892176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.892176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.892176 (E_RNA)
where:
Base-Base interactions energy: -861.584
where: short stacking energy: -367.647
Base-Backbone interact. energy: -0.633
local terms energy: -460.675221
where:
bonds (distance) C4'-P energy: -93.760
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -93.356
flat angles P-C4'-P energy: -66.498
tors. eta vs tors. theta energy: -97.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1201.797737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.797737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.797737 (E_RNA)
where:
Base-Base interactions energy: -788.547
where: short stacking energy: -336.120
Base-Backbone interact. energy: -2.201
local terms energy: -411.049237
where:
bonds (distance) C4'-P energy: -92.718
bonds (distance) P-C4' energy: -93.506
flat angles C4'-P-C4' energy: -98.790
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: -71.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -749.425042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.425042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.425042 (E_RNA)
where:
Base-Base interactions energy: -418.037
where: short stacking energy: -216.899
Base-Backbone interact. energy: -1.550
local terms energy: -329.838619
where:
bonds (distance) C4'-P energy: -73.217
bonds (distance) P-C4' energy: -105.310
flat angles C4'-P-C4' energy: -80.236
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -20.751
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: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -510.487121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.487121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.487121 (E_RNA)
where:
Base-Base interactions energy: -199.732
where: short stacking energy: -130.047
Base-Backbone interact. energy: 4.259
local terms energy: -315.013683
where:
bonds (distance) C4'-P energy: -86.631
bonds (distance) P-C4' energy: -98.756
flat angles C4'-P-C4' energy: -71.860
flat angles P-C4'-P energy: -54.738
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1887.561210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.561210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.561210 (E_RNA)
where:
Base-Base interactions energy: -1310.533
where: short stacking energy: -543.769
Base-Backbone interact. energy: -2.924
local terms energy: -574.104039
where:
bonds (distance) C4'-P energy: -100.484
bonds (distance) P-C4' energy: -118.160
flat angles C4'-P-C4' energy: -123.628
flat angles P-C4'-P energy: -71.914
tors. eta vs tors. theta energy: -159.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1787.822766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.822766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.822766 (E_RNA)
where:
Base-Base interactions energy: -1226.721
where: short stacking energy: -559.813
Base-Backbone interact. energy: -2.970
local terms energy: -558.131224
where:
bonds (distance) C4'-P energy: -106.540
bonds (distance) P-C4' energy: -97.495
flat angles C4'-P-C4' energy: -116.814
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -154.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1750.162910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.162910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.162910 (E_RNA)
where:
Base-Base interactions energy: -1215.186
where: short stacking energy: -537.445
Base-Backbone interact. energy: -2.458
local terms energy: -532.519358
where:
bonds (distance) C4'-P energy: -84.968
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -123.198
flat angles P-C4'-P energy: -69.145
tors. eta vs tors. theta energy: -155.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1710.319845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.319845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.319845 (E_RNA)
where:
Base-Base interactions energy: -1164.058
where: short stacking energy: -514.608
Base-Backbone interact. energy: -2.277
local terms energy: -543.984484
where:
bonds (distance) C4'-P energy: -93.789
bonds (distance) P-C4' energy: -93.247
flat angles C4'-P-C4' energy: -124.872
flat angles P-C4'-P energy: -77.227
tors. eta vs tors. theta energy: -154.848
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: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1534.724815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.724815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.724815 (E_RNA)
where:
Base-Base interactions energy: -1002.266
where: short stacking energy: -433.535
Base-Backbone interact. energy: -0.876
local terms energy: -531.583692
where:
bonds (distance) C4'-P energy: -114.490
bonds (distance) P-C4' energy: -102.473
flat angles C4'-P-C4' energy: -119.247
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -128.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1525.774956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.774956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.774956 (E_RNA)
where:
Base-Base interactions energy: -1040.996
where: short stacking energy: -443.698
Base-Backbone interact. energy: 2.405
local terms energy: -487.183529
where:
bonds (distance) C4'-P energy: -85.950
bonds (distance) P-C4' energy: -100.994
flat angles C4'-P-C4' energy: -114.399
flat angles P-C4'-P energy: -64.337
tors. eta vs tors. theta energy: -121.503
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: 462
Temperature: 1.200000
Total energy: -1381.041786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.041786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.041786 (E_RNA)
where:
Base-Base interactions energy: -949.806
where: short stacking energy: -411.562
Base-Backbone interact. energy: 1.983
local terms energy: -433.219430
where:
bonds (distance) C4'-P energy: -88.253
bonds (distance) P-C4' energy: -98.773
flat angles C4'-P-C4' energy: -97.551
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -108.390
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: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1132.967818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.967818 (E_RNA)
where:
Base-Base interactions energy: -764.276
where: short stacking energy: -320.525
Base-Backbone interact. energy: -2.370
local terms energy: -366.321540
where:
bonds (distance) C4'-P energy: -77.725
bonds (distance) P-C4' energy: -85.216
flat angles C4'-P-C4' energy: -89.012
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -64.341
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: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -711.722119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.722119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.722119 (E_RNA)
where:
Base-Base interactions energy: -405.024
where: short stacking energy: -184.602
Base-Backbone interact. energy: 1.573
local terms energy: -308.270931
where:
bonds (distance) C4'-P energy: -78.838
bonds (distance) P-C4' energy: -71.828
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -59.890
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -501.395297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.395297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.395297 (E_RNA)
where:
Base-Base interactions energy: -220.842
where: short stacking energy: -153.317
Base-Backbone interact. energy: -0.140
local terms energy: -280.413404
where:
bonds (distance) C4'-P energy: -87.492
bonds (distance) P-C4' energy: -87.575
flat angles C4'-P-C4' energy: -73.335
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1891.244056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.244056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.244056 (E_RNA)
where:
Base-Base interactions energy: -1298.613
where: short stacking energy: -550.996
Base-Backbone interact. energy: -4.255
local terms energy: -588.376214
where:
bonds (distance) C4'-P energy: -114.626
bonds (distance) P-C4' energy: -114.874
flat angles C4'-P-C4' energy: -115.682
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -159.180
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1791.746311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.746311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.746311 (E_RNA)
where:
Base-Base interactions energy: -1222.931
where: short stacking energy: -566.349
Base-Backbone interact. energy: 1.143
local terms energy: -569.958553
where:
bonds (distance) C4'-P energy: -104.428
bonds (distance) P-C4' energy: -105.360
flat angles C4'-P-C4' energy: -110.104
flat angles P-C4'-P energy: -82.831
tors. eta vs tors. theta energy: -167.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1713.900118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.900118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.900118 (E_RNA)
where:
Base-Base interactions energy: -1149.569
where: short stacking energy: -499.792
Base-Backbone interact. energy: -1.763
local terms energy: -562.567549
where:
bonds (distance) C4'-P energy: -110.152
bonds (distance) P-C4' energy: -117.054
flat angles C4'-P-C4' energy: -117.038
flat angles P-C4'-P energy: -80.717
tors. eta vs tors. theta energy: -137.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1701.308408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.308408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.308408 (E_RNA)
where:
Base-Base interactions energy: -1169.186
where: short stacking energy: -519.813
Base-Backbone interact. energy: -1.346
local terms energy: -530.776360
where:
bonds (distance) C4'-P energy: -94.370
bonds (distance) P-C4' energy: -95.918
flat angles C4'-P-C4' energy: -104.944
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -155.737
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: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1522.963339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.963339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.963339 (E_RNA)
where:
Base-Base interactions energy: -1030.157
where: short stacking energy: -470.791
Base-Backbone interact. energy: -1.836
local terms energy: -490.971299
where:
bonds (distance) C4'-P energy: -88.962
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -104.581
flat angles P-C4'-P energy: -67.767
tors. eta vs tors. theta energy: -135.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1505.580369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.580369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.580369 (E_RNA)
where:
Base-Base interactions energy: -1025.320
where: short stacking energy: -449.643
Base-Backbone interact. energy: 1.277
local terms energy: -481.537037
where:
bonds (distance) C4'-P energy: -90.481
bonds (distance) P-C4' energy: -91.677
flat angles C4'-P-C4' energy: -101.936
flat angles P-C4'-P energy: -76.913
tors. eta vs tors. theta energy: -120.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1407.933438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.933438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.933438 (E_RNA)
where:
Base-Base interactions energy: -927.439
where: short stacking energy: -405.677
Base-Backbone interact. energy: -1.740
local terms energy: -478.754826
where:
bonds (distance) C4'-P energy: -90.091
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -118.512
flat angles P-C4'-P energy: -78.308
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: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1186.432222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.432222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.432222 (E_RNA)
where:
Base-Base interactions energy: -772.653
where: short stacking energy: -334.636
Base-Backbone interact. energy: -3.323
local terms energy: -410.456424
where:
bonds (distance) C4'-P energy: -92.514
bonds (distance) P-C4' energy: -100.012
flat angles C4'-P-C4' energy: -97.307
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -73.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -757.218650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.218650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.218650 (E_RNA)
where:
Base-Base interactions energy: -422.355
where: short stacking energy: -229.504
Base-Backbone interact. energy: -0.864
local terms energy: -333.999737
where:
bonds (distance) C4'-P energy: -78.056
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -92.955
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -35.797
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: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -491.964547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.964547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.964547 (E_RNA)
where:
Base-Base interactions energy: -232.517
where: short stacking energy: -154.057
Base-Backbone interact. energy: 3.913
local terms energy: -263.361379
where:
bonds (distance) C4'-P energy: -66.260
bonds (distance) P-C4' energy: -86.293
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: 18.946
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: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1876.943555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.943555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.943555 (E_RNA)
where:
Base-Base interactions energy: -1280.576
where: short stacking energy: -557.326
Base-Backbone interact. energy: -3.160
local terms energy: -593.208090
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -101.564
flat angles C4'-P-C4' energy: -124.931
flat angles P-C4'-P energy: -83.213
tors. eta vs tors. theta energy: -168.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1779.468827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.468827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.468827 (E_RNA)
where:
Base-Base interactions energy: -1195.012
where: short stacking energy: -537.828
Base-Backbone interact. energy: -4.214
local terms energy: -580.243156
where:
bonds (distance) C4'-P energy: -120.193
bonds (distance) P-C4' energy: -106.422
flat angles C4'-P-C4' energy: -121.731
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -164.842
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: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1712.203589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.203589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.203589 (E_RNA)
where:
Base-Base interactions energy: -1170.753
where: short stacking energy: -499.639
Base-Backbone interact. energy: -3.634
local terms energy: -537.816272
where:
bonds (distance) C4'-P energy: -108.785
bonds (distance) P-C4' energy: -95.145
flat angles C4'-P-C4' energy: -110.388
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -147.640
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: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1670.406105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.406105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.406105 (E_RNA)
where:
Base-Base interactions energy: -1141.862
where: short stacking energy: -502.891
Base-Backbone interact. energy: 3.604
local terms energy: -532.148363
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -86.389
flat angles C4'-P-C4' energy: -119.542
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -154.451
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: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1531.349482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.349482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.349482 (E_RNA)
where:
Base-Base interactions energy: -1005.550
where: short stacking energy: -470.013
Base-Backbone interact. energy: -3.112
local terms energy: -522.687921
where:
bonds (distance) C4'-P energy: -102.760
bonds (distance) P-C4' energy: -106.069
flat angles C4'-P-C4' energy: -108.049
flat angles P-C4'-P energy: -76.466
tors. eta vs tors. theta energy: -129.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1517.530667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.530667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.530667 (E_RNA)
where:
Base-Base interactions energy: -1033.028
where: short stacking energy: -450.556
Base-Backbone interact. energy: 1.209
local terms energy: -485.711284
where:
bonds (distance) C4'-P energy: -97.340
bonds (distance) P-C4' energy: -95.616
flat angles C4'-P-C4' energy: -97.536
flat angles P-C4'-P energy: -69.592
tors. eta vs tors. theta energy: -125.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1333.327442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.327442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.327442 (E_RNA)
where:
Base-Base interactions energy: -917.634
where: short stacking energy: -395.113
Base-Backbone interact. energy: 5.863
local terms energy: -421.556100
where:
bonds (distance) C4'-P energy: -90.095
bonds (distance) P-C4' energy: -87.108
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -58.766
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1205.833180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.833180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.833180 (E_RNA)
where:
Base-Base interactions energy: -794.911
where: short stacking energy: -342.714
Base-Backbone interact. energy: 2.391
local terms energy: -413.313925
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -92.599
flat angles C4'-P-C4' energy: -103.414
flat angles P-C4'-P energy: -53.165
tors. eta vs tors. theta energy: -79.094
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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -747.159781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.159781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.159781 (E_RNA)
where:
Base-Base interactions energy: -376.834
where: short stacking energy: -210.824
Base-Backbone interact. energy: -0.857
local terms energy: -369.468025
where:
bonds (distance) C4'-P energy: -101.878
bonds (distance) P-C4' energy: -100.792
flat angles C4'-P-C4' energy: -82.391
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -30.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -484.924651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.924651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.924651 (E_RNA)
where:
Base-Base interactions energy: -226.872
where: short stacking energy: -130.610
Base-Backbone interact. energy: -1.226
local terms energy: -256.826682
where:
bonds (distance) C4'-P energy: -90.701
bonds (distance) P-C4' energy: -75.010
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: 24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1892.293049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.293049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.293049 (E_RNA)
where:
Base-Base interactions energy: -1301.283
where: short stacking energy: -566.705
Base-Backbone interact. energy: -0.388
local terms energy: -590.622057
where:
bonds (distance) C4'-P energy: -106.889
bonds (distance) P-C4' energy: -108.559
flat angles C4'-P-C4' energy: -126.860
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -166.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1784.699091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.699091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.699091 (E_RNA)
where:
Base-Base interactions energy: -1199.204
where: short stacking energy: -544.506
Base-Backbone interact. energy: -1.014
local terms energy: -584.481168
where:
bonds (distance) C4'-P energy: -107.023
bonds (distance) P-C4' energy: -117.799
flat angles C4'-P-C4' energy: -113.203
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -157.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1761.799919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.799919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.799919 (E_RNA)
where:
Base-Base interactions energy: -1182.813
where: short stacking energy: -539.968
Base-Backbone interact. energy: -2.339
local terms energy: -576.647929
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -109.728
flat angles C4'-P-C4' energy: -127.837
flat angles P-C4'-P energy: -84.540
tors. eta vs tors. theta energy: -152.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1733.690834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.690834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.690834 (E_RNA)
where:
Base-Base interactions energy: -1171.661
where: short stacking energy: -515.939
Base-Backbone interact. energy: -0.989
local terms energy: -561.040553
where:
bonds (distance) C4'-P energy: -111.205
bonds (distance) P-C4' energy: -101.352
flat angles C4'-P-C4' energy: -114.532
flat angles P-C4'-P energy: -80.189
tors. eta vs tors. theta energy: -153.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1552.647446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.647446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.647446 (E_RNA)
where:
Base-Base interactions energy: -1053.220
where: short stacking energy: -463.862
Base-Backbone interact. energy: 0.642
local terms energy: -500.068868
where:
bonds (distance) C4'-P energy: -101.760
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -104.986
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -129.286
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: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1579.417527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.417527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.417527 (E_RNA)
where:
Base-Base interactions energy: -1083.353
where: short stacking energy: -474.493
Base-Backbone interact. energy: -0.457
local terms energy: -495.607516
where:
bonds (distance) C4'-P energy: -93.623
bonds (distance) P-C4' energy: -99.711
flat angles C4'-P-C4' energy: -107.529
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -138.533
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: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1355.778343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.778343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.778343 (E_RNA)
where:
Base-Base interactions energy: -921.413
where: short stacking energy: -386.666
Base-Backbone interact. energy: 8.395
local terms energy: -442.759561
where:
bonds (distance) C4'-P energy: -97.653
bonds (distance) P-C4' energy: -81.520
flat angles C4'-P-C4' energy: -107.116
flat angles P-C4'-P energy: -59.448
tors. eta vs tors. theta energy: -97.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1254.750214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.750214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.750214 (E_RNA)
where:
Base-Base interactions energy: -804.757
where: short stacking energy: -361.638
Base-Backbone interact. energy: 5.874
local terms energy: -455.867002
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -110.510
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -71.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -720.668691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.668691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.668691 (E_RNA)
where:
Base-Base interactions energy: -385.655
where: short stacking energy: -205.967
Base-Backbone interact. energy: 1.053
local terms energy: -336.066288
where:
bonds (distance) C4'-P energy: -75.027
bonds (distance) P-C4' energy: -95.723
flat angles C4'-P-C4' energy: -76.780
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -36.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -478.824255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.824255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.824255 (E_RNA)
where:
Base-Base interactions energy: -221.035
where: short stacking energy: -149.198
Base-Backbone interact. energy: 4.491
local terms energy: -262.280208
where:
bonds (distance) C4'-P energy: -77.239
bonds (distance) P-C4' energy: -92.673
flat angles C4'-P-C4' energy: -58.562
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1893.696458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.696458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.696458 (E_RNA)
where:
Base-Base interactions energy: -1309.825
where: short stacking energy: -570.280
Base-Backbone interact. energy: -1.460
local terms energy: -582.411948
where:
bonds (distance) C4'-P energy: -111.012
bonds (distance) P-C4' energy: -103.696
flat angles C4'-P-C4' energy: -123.180
flat angles P-C4'-P energy: -75.929
tors. eta vs tors. theta energy: -168.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1781.614174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.614174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.614174 (E_RNA)
where:
Base-Base interactions energy: -1245.723
where: short stacking energy: -557.501
Base-Backbone interact. energy: 0.156
local terms energy: -536.046804
where:
bonds (distance) C4'-P energy: -105.634
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -114.914
flat angles P-C4'-P energy: -65.770
tors. eta vs tors. theta energy: -155.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1769.974910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.974910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.974910 (E_RNA)
where:
Base-Base interactions energy: -1189.892
where: short stacking energy: -548.377
Base-Backbone interact. energy: -0.249
local terms energy: -579.833756
where:
bonds (distance) C4'-P energy: -100.251
bonds (distance) P-C4' energy: -113.018
flat angles C4'-P-C4' energy: -133.134
flat angles P-C4'-P energy: -67.437
tors. eta vs tors. theta energy: -165.994
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: 466
Temperature: 1.050000
Total energy: -1679.696385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.696385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.696385 (E_RNA)
where:
Base-Base interactions energy: -1140.411
where: short stacking energy: -483.127
Base-Backbone interact. energy: -3.089
local terms energy: -536.196484
where:
bonds (distance) C4'-P energy: -90.578
bonds (distance) P-C4' energy: -108.275
flat angles C4'-P-C4' energy: -118.777
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -146.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1597.156247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.156247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.156247 (E_RNA)
where:
Base-Base interactions energy: -1103.541
where: short stacking energy: -479.831
Base-Backbone interact. energy: -2.933
local terms energy: -490.681772
where:
bonds (distance) C4'-P energy: -95.408
bonds (distance) P-C4' energy: -100.529
flat angles C4'-P-C4' energy: -103.479
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: -124.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1439.513199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.513199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.513199 (E_RNA)
where:
Base-Base interactions energy: -968.732
where: short stacking energy: -449.457
Base-Backbone interact. energy: 3.938
local terms energy: -474.719151
where:
bonds (distance) C4'-P energy: -92.259
bonds (distance) P-C4' energy: -98.829
flat angles C4'-P-C4' energy: -99.635
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -116.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1355.676032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.676032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.676032 (E_RNA)
where:
Base-Base interactions energy: -908.541
where: short stacking energy: -393.454
Base-Backbone interact. energy: 1.411
local terms energy: -448.546476
where:
bonds (distance) C4'-P energy: -71.596
bonds (distance) P-C4' energy: -103.199
flat angles C4'-P-C4' energy: -104.916
flat angles P-C4'-P energy: -71.256
tors. eta vs tors. theta energy: -97.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1202.260753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.260753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.260753 (E_RNA)
where:
Base-Base interactions energy: -779.196
where: short stacking energy: -345.399
Base-Backbone interact. energy: 2.496
local terms energy: -425.560681
where:
bonds (distance) C4'-P energy: -92.586
bonds (distance) P-C4' energy: -93.702
flat angles C4'-P-C4' energy: -99.344
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -74.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -669.264608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.264608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.264608 (E_RNA)
where:
Base-Base interactions energy: -346.084
where: short stacking energy: -184.688
Base-Backbone interact. energy: -2.214
local terms energy: -320.966853
where:
bonds (distance) C4'-P energy: -80.839
bonds (distance) P-C4' energy: -91.712
flat angles C4'-P-C4' energy: -90.247
flat angles P-C4'-P energy: -48.220
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -558.810519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.810519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.810519 (E_RNA)
where:
Base-Base interactions energy: -267.550
where: short stacking energy: -167.262
Base-Backbone interact. energy: 0.190
local terms energy: -291.451231
where:
bonds (distance) C4'-P energy: -90.713
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1901.213105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.213105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.213105 (E_RNA)
where:
Base-Base interactions energy: -1307.053
where: short stacking energy: -559.570
Base-Backbone interact. energy: 3.366
local terms energy: -597.525769
where:
bonds (distance) C4'-P energy: -109.477
bonds (distance) P-C4' energy: -104.062
flat angles C4'-P-C4' energy: -123.445
flat angles P-C4'-P energy: -88.692
tors. eta vs tors. theta energy: -171.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1766.177381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.177381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.177381 (E_RNA)
where:
Base-Base interactions energy: -1192.673
where: short stacking energy: -523.916
Base-Backbone interact. energy: -0.658
local terms energy: -572.846991
where:
bonds (distance) C4'-P energy: -83.555
bonds (distance) P-C4' energy: -126.907
flat angles C4'-P-C4' energy: -123.644
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: -158.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1785.643287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.643287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.643287 (E_RNA)
where:
Base-Base interactions energy: -1221.981
where: short stacking energy: -516.279
Base-Backbone interact. energy: 0.475
local terms energy: -564.137373
where:
bonds (distance) C4'-P energy: -107.426
bonds (distance) P-C4' energy: -98.638
flat angles C4'-P-C4' energy: -111.286
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -158.769
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: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1689.426570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.426570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.426570 (E_RNA)
where:
Base-Base interactions energy: -1155.471
where: short stacking energy: -493.224
Base-Backbone interact. energy: -0.956
local terms energy: -532.999056
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -88.712
flat angles C4'-P-C4' energy: -116.489
flat angles P-C4'-P energy: -79.760
tors. eta vs tors. theta energy: -147.349
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1576.944433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.944433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.944433 (E_RNA)
where:
Base-Base interactions energy: -1064.621
where: short stacking energy: -440.582
Base-Backbone interact. energy: -1.102
local terms energy: -511.221504
where:
bonds (distance) C4'-P energy: -89.826
bonds (distance) P-C4' energy: -113.624
flat angles C4'-P-C4' energy: -114.139
flat angles P-C4'-P energy: -72.841
tors. eta vs tors. theta energy: -120.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1536.521676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.521676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.521676 (E_RNA)
where:
Base-Base interactions energy: -1071.335
where: short stacking energy: -468.509
Base-Backbone interact. energy: -0.263
local terms energy: -464.924198
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -67.796
flat angles C4'-P-C4' energy: -103.340
flat angles P-C4'-P energy: -65.151
tors. eta vs tors. theta energy: -135.439
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1393.281631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.281631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.281631 (E_RNA)
where:
Base-Base interactions energy: -950.360
where: short stacking energy: -419.849
Base-Backbone interact. energy: 2.128
local terms energy: -445.049425
where:
bonds (distance) C4'-P energy: -74.605
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -104.686
flat angles P-C4'-P energy: -68.652
tors. eta vs tors. theta energy: -98.056
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: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1235.294458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.294458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.294458 (E_RNA)
where:
Base-Base interactions energy: -818.417
where: short stacking energy: -326.447
Base-Backbone interact. energy: -1.116
local terms energy: -415.761344
where:
bonds (distance) C4'-P energy: -84.186
bonds (distance) P-C4' energy: -106.686
flat angles C4'-P-C4' energy: -94.035
flat angles P-C4'-P energy: -64.192
tors. eta vs tors. theta energy: -66.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -657.138789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.138789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.138789 (E_RNA)
where:
Base-Base interactions energy: -329.550
where: short stacking energy: -174.435
Base-Backbone interact. energy: -1.772
local terms energy: -325.817456
where:
bonds (distance) C4'-P energy: -79.164
bonds (distance) P-C4' energy: -86.642
flat angles C4'-P-C4' energy: -93.237
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -520.225122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.225122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.225122 (E_RNA)
where:
Base-Base interactions energy: -239.451
where: short stacking energy: -152.330
Base-Backbone interact. energy: 0.576
local terms energy: -281.350060
where:
bonds (distance) C4'-P energy: -87.661
bonds (distance) P-C4' energy: -97.147
flat angles C4'-P-C4' energy: -71.403
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: 11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1886.459453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.459453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.459453 (E_RNA)
where:
Base-Base interactions energy: -1303.055
where: short stacking energy: -572.188
Base-Backbone interact. energy: 0.579
local terms energy: -583.983556
where:
bonds (distance) C4'-P energy: -97.258
bonds (distance) P-C4' energy: -106.818
flat angles C4'-P-C4' energy: -126.835
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -162.679
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: 468
Temperature: 0.950000
Total energy: -1764.765066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.765066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.765066 (E_RNA)
where:
Base-Base interactions energy: -1185.628
where: short stacking energy: -508.339
Base-Backbone interact. energy: -0.690
local terms energy: -578.447414
where:
bonds (distance) C4'-P energy: -106.483
bonds (distance) P-C4' energy: -116.219
flat angles C4'-P-C4' energy: -119.142
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -155.642
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: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1773.352569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.352569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.352569 (E_RNA)
where:
Base-Base interactions energy: -1188.835
where: short stacking energy: -527.754
Base-Backbone interact. energy: -0.811
local terms energy: -583.706798
where:
bonds (distance) C4'-P energy: -118.863
bonds (distance) P-C4' energy: -101.923
flat angles C4'-P-C4' energy: -125.419
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -158.914
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: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1669.218922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.218922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.218922 (E_RNA)
where:
Base-Base interactions energy: -1142.683
where: short stacking energy: -503.160
Base-Backbone interact. energy: -1.291
local terms energy: -525.244963
where:
bonds (distance) C4'-P energy: -91.982
bonds (distance) P-C4' energy: -97.203
flat angles C4'-P-C4' energy: -111.935
flat angles P-C4'-P energy: -75.417
tors. eta vs tors. theta energy: -148.708
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: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1568.963856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.963856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.963856 (E_RNA)
where:
Base-Base interactions energy: -1071.047
where: short stacking energy: -512.736
Base-Backbone interact. energy: -2.199
local terms energy: -495.717412
where:
bonds (distance) C4'-P energy: -78.517
bonds (distance) P-C4' energy: -96.887
flat angles C4'-P-C4' energy: -109.487
flat angles P-C4'-P energy: -69.912
tors. eta vs tors. theta energy: -140.915
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: 468
Temperature: 1.150000
Total energy: -1527.016862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.016862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.016862 (E_RNA)
where:
Base-Base interactions energy: -1039.506
where: short stacking energy: -434.664
Base-Backbone interact. energy: 3.298
local terms energy: -490.809624
where:
bonds (distance) C4'-P energy: -81.944
bonds (distance) P-C4' energy: -89.577
flat angles C4'-P-C4' energy: -107.475
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -135.303
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: 468
Temperature: 1.200000
Total energy: -1379.190310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.190310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.190310 (E_RNA)
where:
Base-Base interactions energy: -939.428
where: short stacking energy: -394.838
Base-Backbone interact. energy: -2.647
local terms energy: -437.115418
where:
bonds (distance) C4'-P energy: -98.904
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -105.977
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: 468
Temperature: 1.250000
Total energy: -1195.592719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.592719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.592719 (E_RNA)
where:
Base-Base interactions energy: -753.623
where: short stacking energy: -328.361
Base-Backbone interact. energy: -2.160
local terms energy: -439.809807
where:
bonds (distance) C4'-P energy: -92.917
bonds (distance) P-C4' energy: -97.095
flat angles C4'-P-C4' energy: -103.044
flat angles P-C4'-P energy: -70.072
tors. eta vs tors. theta energy: -76.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -651.876809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.876809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.876809 (E_RNA)
where:
Base-Base interactions energy: -322.436
where: short stacking energy: -192.065
Base-Backbone interact. energy: -2.020
local terms energy: -327.420772
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -87.022
flat angles C4'-P-C4' energy: -85.391
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -530.136731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.136731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.136731 (E_RNA)
where:
Base-Base interactions energy: -221.786
where: short stacking energy: -147.146
Base-Backbone interact. energy: -4.007
local terms energy: -304.343170
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -96.547
flat angles C4'-P-C4' energy: -76.339
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1892.638908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.638908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.638908 (E_RNA)
where:
Base-Base interactions energy: -1281.226
where: short stacking energy: -555.872
Base-Backbone interact. energy: -3.641
local terms energy: -607.772629
where:
bonds (distance) C4'-P energy: -118.329
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -114.347
flat angles P-C4'-P energy: -99.833
tors. eta vs tors. theta energy: -156.530
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: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1758.629773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.629773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.629773 (E_RNA)
where:
Base-Base interactions energy: -1198.110
where: short stacking energy: -530.594
Base-Backbone interact. energy: -2.060
local terms energy: -558.459841
where:
bonds (distance) C4'-P energy: -108.103
bonds (distance) P-C4' energy: -100.090
flat angles C4'-P-C4' energy: -115.959
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -150.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1764.282228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.282228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.282228 (E_RNA)
where:
Base-Base interactions energy: -1183.408
where: short stacking energy: -518.822
Base-Backbone interact. energy: -1.482
local terms energy: -579.392594
where:
bonds (distance) C4'-P energy: -103.387
bonds (distance) P-C4' energy: -114.970
flat angles C4'-P-C4' energy: -123.095
flat angles P-C4'-P energy: -77.723
tors. eta vs tors. theta energy: -160.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1698.433847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.433847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.433847 (E_RNA)
where:
Base-Base interactions energy: -1169.172
where: short stacking energy: -508.691
Base-Backbone interact. energy: -4.568
local terms energy: -524.693930
where:
bonds (distance) C4'-P energy: -104.255
bonds (distance) P-C4' energy: -96.357
flat angles C4'-P-C4' energy: -110.603
flat angles P-C4'-P energy: -64.396
tors. eta vs tors. theta energy: -149.083
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: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1588.722529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.722529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.722529 (E_RNA)
where:
Base-Base interactions energy: -1075.622
where: short stacking energy: -493.434
Base-Backbone interact. energy: -2.540
local terms energy: -510.560268
where:
bonds (distance) C4'-P energy: -88.303
bonds (distance) P-C4' energy: -90.742
flat angles C4'-P-C4' energy: -115.510
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -140.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1496.705562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.705562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.705562 (E_RNA)
where:
Base-Base interactions energy: -1009.109
where: short stacking energy: -450.786
Base-Backbone interact. energy: -0.312
local terms energy: -487.284617
where:
bonds (distance) C4'-P energy: -94.471
bonds (distance) P-C4' energy: -93.843
flat angles C4'-P-C4' energy: -104.681
flat angles P-C4'-P energy: -61.527
tors. eta vs tors. theta energy: -132.762
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: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1381.202497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.202497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.202497 (E_RNA)
where:
Base-Base interactions energy: -920.442
where: short stacking energy: -390.683
Base-Backbone interact. energy: 1.335
local terms energy: -462.096090
where:
bonds (distance) C4'-P energy: -87.273
bonds (distance) P-C4' energy: -93.363
flat angles C4'-P-C4' energy: -112.937
flat angles P-C4'-P energy: -82.335
tors. eta vs tors. theta energy: -86.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1152.652729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.652729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.652729 (E_RNA)
where:
Base-Base interactions energy: -747.895
where: short stacking energy: -318.514
Base-Backbone interact. energy: 1.083
local terms energy: -405.840518
where:
bonds (distance) C4'-P energy: -95.259
bonds (distance) P-C4' energy: -71.353
flat angles C4'-P-C4' energy: -92.547
flat angles P-C4'-P energy: -69.256
tors. eta vs tors. theta energy: -77.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -672.807238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.807238 (E_RNA)
where:
Base-Base interactions energy: -353.794
where: short stacking energy: -193.368
Base-Backbone interact. energy: 4.063
local terms energy: -323.075836
where:
bonds (distance) C4'-P energy: -80.505
bonds (distance) P-C4' energy: -94.914
flat angles C4'-P-C4' energy: -72.404
flat angles P-C4'-P energy: -57.759
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -546.205861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.205861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.205861 (E_RNA)
where:
Base-Base interactions energy: -274.332
where: short stacking energy: -135.517
Base-Backbone interact. energy: -1.472
local terms energy: -270.402094
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -92.485
flat angles C4'-P-C4' energy: -61.108
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: 15.956
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1877.658028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.658028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.658028 (E_RNA)
where:
Base-Base interactions energy: -1306.401
where: short stacking energy: -542.264
Base-Backbone interact. energy: 1.736
local terms energy: -572.992549
where:
bonds (distance) C4'-P energy: -102.793
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -116.832
flat angles P-C4'-P energy: -79.766
tors. eta vs tors. theta energy: -162.456
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: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1773.803841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.803841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.803841 (E_RNA)
where:
Base-Base interactions energy: -1209.192
where: short stacking energy: -550.372
Base-Backbone interact. energy: -1.103
local terms energy: -563.508419
where:
bonds (distance) C4'-P energy: -102.724
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -124.815
flat angles P-C4'-P energy: -83.025
tors. eta vs tors. theta energy: -161.864
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: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1780.655972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.655972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.655972 (E_RNA)
where:
Base-Base interactions energy: -1217.586
where: short stacking energy: -562.616
Base-Backbone interact. energy: -1.803
local terms energy: -561.267357
where:
bonds (distance) C4'-P energy: -95.828
bonds (distance) P-C4' energy: -97.384
flat angles C4'-P-C4' energy: -119.847
flat angles P-C4'-P energy: -79.549
tors. eta vs tors. theta energy: -168.658
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: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1678.784996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.784996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.784996 (E_RNA)
where:
Base-Base interactions energy: -1158.478
where: short stacking energy: -503.086
Base-Backbone interact. energy: -0.302
local terms energy: -520.005354
where:
bonds (distance) C4'-P energy: -92.824
bonds (distance) P-C4' energy: -99.222
flat angles C4'-P-C4' energy: -108.502
flat angles P-C4'-P energy: -78.257
tors. eta vs tors. theta energy: -141.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1523.177995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.177995 (E_RNA)
where:
Base-Base interactions energy: -1026.041
where: short stacking energy: -457.029
Base-Backbone interact. energy: 1.070
local terms energy: -498.206771
where:
bonds (distance) C4'-P energy: -97.996
bonds (distance) P-C4' energy: -90.409
flat angles C4'-P-C4' energy: -111.241
flat angles P-C4'-P energy: -73.389
tors. eta vs tors. theta energy: -125.172
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: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1516.791986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.791986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.791986 (E_RNA)
where:
Base-Base interactions energy: -1026.529
where: short stacking energy: -465.841
Base-Backbone interact. energy: 1.265
local terms energy: -491.528501
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -87.668
flat angles C4'-P-C4' energy: -105.809
flat angles P-C4'-P energy: -76.972
tors. eta vs tors. theta energy: -126.405
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: 470
Temperature: 1.200000
Total energy: -1343.004300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.004300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.004300 (E_RNA)
where:
Base-Base interactions energy: -910.838
where: short stacking energy: -390.903
Base-Backbone interact. energy: -2.456
local terms energy: -429.710392
where:
bonds (distance) C4'-P energy: -84.035
bonds (distance) P-C4' energy: -88.459
flat angles C4'-P-C4' energy: -102.007
flat angles P-C4'-P energy: -55.297
tors. eta vs tors. theta energy: -99.912
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: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1171.101233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.101233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.101233 (E_RNA)
where:
Base-Base interactions energy: -750.875
where: short stacking energy: -317.975
Base-Backbone interact. energy: -2.196
local terms energy: -418.030523
where:
bonds (distance) C4'-P energy: -85.013
bonds (distance) P-C4' energy: -94.670
flat angles C4'-P-C4' energy: -97.257
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -72.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -671.769658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.769658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.769658 (E_RNA)
where:
Base-Base interactions energy: -342.745
where: short stacking energy: -189.515
Base-Backbone interact. energy: -1.848
local terms energy: -327.176636
where:
bonds (distance) C4'-P energy: -71.788
bonds (distance) P-C4' energy: -101.890
flat angles C4'-P-C4' energy: -90.616
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -19.795
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: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -521.035935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.035935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.035935 (E_RNA)
where:
Base-Base interactions energy: -210.841
where: short stacking energy: -133.460
Base-Backbone interact. energy: -1.323
local terms energy: -308.872536
where:
bonds (distance) C4'-P energy: -73.574
bonds (distance) P-C4' energy: -105.896
flat angles C4'-P-C4' energy: -80.073
flat angles P-C4'-P energy: -58.592
tors. eta vs tors. theta energy: 9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1915.284078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.284078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.284078 (E_RNA)
where:
Base-Base interactions energy: -1326.339
where: short stacking energy: -577.060
Base-Backbone interact. energy: -1.223
local terms energy: -587.722281
where:
bonds (distance) C4'-P energy: -100.118
bonds (distance) P-C4' energy: -105.506
flat angles C4'-P-C4' energy: -120.445
flat angles P-C4'-P energy: -90.090
tors. eta vs tors. theta energy: -171.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1830.469299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.469299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.469299 (E_RNA)
where:
Base-Base interactions energy: -1244.385
where: short stacking energy: -556.537
Base-Backbone interact. energy: -2.206
local terms energy: -583.878451
where:
bonds (distance) C4'-P energy: -108.452
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -112.116
flat angles P-C4'-P energy: -84.476
tors. eta vs tors. theta energy: -170.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1732.202254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.202254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.202254 (E_RNA)
where:
Base-Base interactions energy: -1202.547
where: short stacking energy: -535.864
Base-Backbone interact. energy: 0.863
local terms energy: -530.517515
where:
bonds (distance) C4'-P energy: -84.172
bonds (distance) P-C4' energy: -104.795
flat angles C4'-P-C4' energy: -118.889
flat angles P-C4'-P energy: -79.357
tors. eta vs tors. theta energy: -143.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1722.580957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.580957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.580957 (E_RNA)
where:
Base-Base interactions energy: -1180.339
where: short stacking energy: -525.348
Base-Backbone interact. energy: -2.258
local terms energy: -539.984342
where:
bonds (distance) C4'-P energy: -90.334
bonds (distance) P-C4' energy: -103.857
flat angles C4'-P-C4' energy: -109.602
flat angles P-C4'-P energy: -83.692
tors. eta vs tors. theta energy: -152.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1569.788039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.788039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.788039 (E_RNA)
where:
Base-Base interactions energy: -1068.084
where: short stacking energy: -459.514
Base-Backbone interact. energy: -0.799
local terms energy: -500.905150
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -67.126
tors. eta vs tors. theta energy: -128.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1531.926188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.926188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.926188 (E_RNA)
where:
Base-Base interactions energy: -1038.388
where: short stacking energy: -438.569
Base-Backbone interact. energy: 1.703
local terms energy: -495.240528
where:
bonds (distance) C4'-P energy: -104.877
bonds (distance) P-C4' energy: -92.815
flat angles C4'-P-C4' energy: -103.511
flat angles P-C4'-P energy: -62.714
tors. eta vs tors. theta energy: -131.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1284.903229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.903229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.903229 (E_RNA)
where:
Base-Base interactions energy: -832.128
where: short stacking energy: -347.449
Base-Backbone interact. energy: -1.016
local terms energy: -451.758777
where:
bonds (distance) C4'-P energy: -93.293
bonds (distance) P-C4' energy: -100.562
flat angles C4'-P-C4' energy: -105.518
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -87.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1145.301295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.301295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.301295 (E_RNA)
where:
Base-Base interactions energy: -728.566
where: short stacking energy: -296.535
Base-Backbone interact. energy: -1.136
local terms energy: -415.599119
where:
bonds (distance) C4'-P energy: -96.030
bonds (distance) P-C4' energy: -98.224
flat angles C4'-P-C4' energy: -92.060
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: -65.421
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: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -676.891667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.891667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.891667 (E_RNA)
where:
Base-Base interactions energy: -363.900
where: short stacking energy: -192.457
Base-Backbone interact. energy: 1.946
local terms energy: -314.937345
where:
bonds (distance) C4'-P energy: -96.544
bonds (distance) P-C4' energy: -91.172
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -11.648
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: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -524.652282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.652282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.652282 (E_RNA)
where:
Base-Base interactions energy: -233.774
where: short stacking energy: -150.885
Base-Backbone interact. energy: -1.584
local terms energy: -289.294087
where:
bonds (distance) C4'-P energy: -86.989
bonds (distance) P-C4' energy: -88.180
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: 5.733
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1905.242528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.242528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.242528 (E_RNA)
where:
Base-Base interactions energy: -1302.796
where: short stacking energy: -559.780
Base-Backbone interact. energy: -3.415
local terms energy: -599.031458
where:
bonds (distance) C4'-P energy: -106.625
bonds (distance) P-C4' energy: -113.421
flat angles C4'-P-C4' energy: -122.064
flat angles P-C4'-P energy: -85.552
tors. eta vs tors. theta energy: -171.370
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: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1806.705899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.705899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.705899 (E_RNA)
where:
Base-Base interactions energy: -1217.676
where: short stacking energy: -531.440
Base-Backbone interact. energy: -2.338
local terms energy: -586.692184
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -110.455
flat angles C4'-P-C4' energy: -118.278
flat angles P-C4'-P energy: -94.292
tors. eta vs tors. theta energy: -161.849
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: 472
Temperature: 1.000000
Total energy: -1760.200414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.200414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.200414 (E_RNA)
where:
Base-Base interactions energy: -1207.059
where: short stacking energy: -529.736
Base-Backbone interact. energy: -2.576
local terms energy: -550.565589
where:
bonds (distance) C4'-P energy: -88.279
bonds (distance) P-C4' energy: -102.338
flat angles C4'-P-C4' energy: -121.853
flat angles P-C4'-P energy: -75.622
tors. eta vs tors. theta energy: -162.473
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1713.231268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.231268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.231268 (E_RNA)
where:
Base-Base interactions energy: -1164.703
where: short stacking energy: -505.104
Base-Backbone interact. energy: -1.837
local terms energy: -546.691097
where:
bonds (distance) C4'-P energy: -105.201
bonds (distance) P-C4' energy: -106.276
flat angles C4'-P-C4' energy: -104.423
flat angles P-C4'-P energy: -81.511
tors. eta vs tors. theta energy: -149.281
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: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1569.005417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.005417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.005417 (E_RNA)
where:
Base-Base interactions energy: -1054.447
where: short stacking energy: -444.671
Base-Backbone interact. energy: -1.746
local terms energy: -512.812021
where:
bonds (distance) C4'-P energy: -101.408
bonds (distance) P-C4' energy: -97.878
flat angles C4'-P-C4' energy: -106.507
flat angles P-C4'-P energy: -80.254
tors. eta vs tors. theta energy: -126.765
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: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1524.296635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.296635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.296635 (E_RNA)
where:
Base-Base interactions energy: -1032.060
where: short stacking energy: -471.295
Base-Backbone interact. energy: -1.312
local terms energy: -490.924971
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -105.493
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -139.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1344.446813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.446813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.446813 (E_RNA)
where:
Base-Base interactions energy: -910.294
where: short stacking energy: -377.668
Base-Backbone interact. energy: -2.138
local terms energy: -432.014532
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -85.589
flat angles C4'-P-C4' energy: -93.977
flat angles P-C4'-P energy: -66.473
tors. eta vs tors. theta energy: -84.618
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: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1148.898285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.898285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.898285 (E_RNA)
where:
Base-Base interactions energy: -746.257
where: short stacking energy: -335.670
Base-Backbone interact. energy: -0.893
local terms energy: -401.748024
where:
bonds (distance) C4'-P energy: -94.096
bonds (distance) P-C4' energy: -86.608
flat angles C4'-P-C4' energy: -91.199
flat angles P-C4'-P energy: -57.623
tors. eta vs tors. theta energy: -72.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -713.452238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.452238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.452238 (E_RNA)
where:
Base-Base interactions energy: -369.073
where: short stacking energy: -210.550
Base-Backbone interact. energy: -2.277
local terms energy: -342.102118
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -92.042
flat angles C4'-P-C4' energy: -75.246
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -17.904
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: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -456.419026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.419026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.419026 (E_RNA)
where:
Base-Base interactions energy: -166.846
where: short stacking energy: -126.076
Base-Backbone interact. energy: -2.147
local terms energy: -287.425609
where:
bonds (distance) C4'-P energy: -94.067
bonds (distance) P-C4' energy: -91.096
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: 18.351
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1891.457232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.457232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.457232 (E_RNA)
where:
Base-Base interactions energy: -1313.180
where: short stacking energy: -569.186
Base-Backbone interact. energy: -2.403
local terms energy: -575.874451
where:
bonds (distance) C4'-P energy: -110.150
bonds (distance) P-C4' energy: -94.404
flat angles C4'-P-C4' energy: -123.477
flat angles P-C4'-P energy: -78.974
tors. eta vs tors. theta energy: -168.869
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: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1830.868004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.868004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.868004 (E_RNA)
where:
Base-Base interactions energy: -1249.728
where: short stacking energy: -562.861
Base-Backbone interact. energy: -0.967
local terms energy: -580.173263
where:
bonds (distance) C4'-P energy: -105.314
bonds (distance) P-C4' energy: -97.749
flat angles C4'-P-C4' energy: -126.325
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -164.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1727.162981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.162981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.162981 (E_RNA)
where:
Base-Base interactions energy: -1188.223
where: short stacking energy: -530.916
Base-Backbone interact. energy: -0.365
local terms energy: -538.574766
where:
bonds (distance) C4'-P energy: -92.263
bonds (distance) P-C4' energy: -90.513
flat angles C4'-P-C4' energy: -118.622
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -154.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1693.469071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.469071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.469071 (E_RNA)
where:
Base-Base interactions energy: -1162.426
where: short stacking energy: -504.764
Base-Backbone interact. energy: -1.270
local terms energy: -529.773564
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -101.072
flat angles C4'-P-C4' energy: -113.198
flat angles P-C4'-P energy: -71.793
tors. eta vs tors. theta energy: -142.919
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: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1570.293079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.293079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.293079 (E_RNA)
where:
Base-Base interactions energy: -1068.765
where: short stacking energy: -459.946
Base-Backbone interact. energy: -0.024
local terms energy: -501.504185
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -79.626
flat angles C4'-P-C4' energy: -115.192
flat angles P-C4'-P energy: -67.962
tors. eta vs tors. theta energy: -132.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1511.779530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.779530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.779530 (E_RNA)
where:
Base-Base interactions energy: -1019.121
where: short stacking energy: -462.265
Base-Backbone interact. energy: 0.734
local terms energy: -493.392999
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -103.161
flat angles C4'-P-C4' energy: -102.017
flat angles P-C4'-P energy: -70.017
tors. eta vs tors. theta energy: -128.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1278.987563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.987563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.987563 (E_RNA)
where:
Base-Base interactions energy: -854.268
where: short stacking energy: -375.781
Base-Backbone interact. energy: -0.929
local terms energy: -423.790658
where:
bonds (distance) C4'-P energy: -89.450
bonds (distance) P-C4' energy: -100.113
flat angles C4'-P-C4' energy: -103.371
flat angles P-C4'-P energy: -45.996
tors. eta vs tors. theta energy: -84.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1165.064707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.064707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.064707 (E_RNA)
where:
Base-Base interactions energy: -777.316
where: short stacking energy: -312.979
Base-Backbone interact. energy: -1.212
local terms energy: -386.537096
where:
bonds (distance) C4'-P energy: -78.154
bonds (distance) P-C4' energy: -90.634
flat angles C4'-P-C4' energy: -92.994
flat angles P-C4'-P energy: -68.738
tors. eta vs tors. theta energy: -56.016
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: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -712.715754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.715754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.715754 (E_RNA)
where:
Base-Base interactions energy: -383.756
where: short stacking energy: -195.377
Base-Backbone interact. energy: -3.436
local terms energy: -325.524056
where:
bonds (distance) C4'-P energy: -79.655
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -49.654
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: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -455.890079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.890079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.890079 (E_RNA)
where:
Base-Base interactions energy: -182.825
where: short stacking energy: -98.695
Base-Backbone interact. energy: 1.466
local terms energy: -274.531873
where:
bonds (distance) C4'-P energy: -90.157
bonds (distance) P-C4' energy: -104.773
flat angles C4'-P-C4' energy: -71.026
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: 27.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1916.737986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.737986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.737986 (E_RNA)
where:
Base-Base interactions energy: -1309.678
where: short stacking energy: -570.396
Base-Backbone interact. energy: -1.642
local terms energy: -605.417777
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -109.911
flat angles C4'-P-C4' energy: -123.506
flat angles P-C4'-P energy: -92.795
tors. eta vs tors. theta energy: -168.499
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: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1831.357558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.357558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.357558 (E_RNA)
where:
Base-Base interactions energy: -1232.239
where: short stacking energy: -560.903
Base-Backbone interact. energy: -2.326
local terms energy: -596.792177
where:
bonds (distance) C4'-P energy: -109.402
bonds (distance) P-C4' energy: -98.816
flat angles C4'-P-C4' energy: -120.196
flat angles P-C4'-P energy: -92.008
tors. eta vs tors. theta energy: -176.371
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: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1764.541521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.541521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.541521 (E_RNA)
where:
Base-Base interactions energy: -1200.350
where: short stacking energy: -548.769
Base-Backbone interact. energy: -5.558
local terms energy: -558.633721
where:
bonds (distance) C4'-P energy: -104.733
bonds (distance) P-C4' energy: -90.996
flat angles C4'-P-C4' energy: -120.493
flat angles P-C4'-P energy: -77.768
tors. eta vs tors. theta energy: -164.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1698.039187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.039187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.039187 (E_RNA)
where:
Base-Base interactions energy: -1166.150
where: short stacking energy: -507.338
Base-Backbone interact. energy: -2.045
local terms energy: -529.843302
where:
bonds (distance) C4'-P energy: -88.579
bonds (distance) P-C4' energy: -108.098
flat angles C4'-P-C4' energy: -118.840
flat angles P-C4'-P energy: -80.792
tors. eta vs tors. theta energy: -133.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1590.250620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.250620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.250620 (E_RNA)
where:
Base-Base interactions energy: -1061.539
where: short stacking energy: -474.694
Base-Backbone interact. energy: -2.067
local terms energy: -526.644094
where:
bonds (distance) C4'-P energy: -102.924
bonds (distance) P-C4' energy: -107.351
flat angles C4'-P-C4' energy: -113.239
flat angles P-C4'-P energy: -63.225
tors. eta vs tors. theta energy: -139.905
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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1524.979155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.979155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.979155 (E_RNA)
where:
Base-Base interactions energy: -1027.128
where: short stacking energy: -439.257
Base-Backbone interact. energy: -0.172
local terms energy: -497.679017
where:
bonds (distance) C4'-P energy: -101.683
bonds (distance) P-C4' energy: -90.111
flat angles C4'-P-C4' energy: -111.496
flat angles P-C4'-P energy: -61.222
tors. eta vs tors. theta energy: -133.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1319.664257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.664257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.664257 (E_RNA)
where:
Base-Base interactions energy: -868.069
where: short stacking energy: -368.539
Base-Backbone interact. energy: 4.498
local terms energy: -456.093542
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -104.896
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -72.196
tors. eta vs tors. theta energy: -83.838
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: 474
Temperature: 1.250000
Total energy: -1160.232064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.232064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.232064 (E_RNA)
where:
Base-Base interactions energy: -767.629
where: short stacking energy: -312.030
Base-Backbone interact. energy: 0.133
local terms energy: -392.736420
where:
bonds (distance) C4'-P energy: -87.958
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -81.851
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -66.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -688.338419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.338419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.338419 (E_RNA)
where:
Base-Base interactions energy: -355.678
where: short stacking energy: -200.131
Base-Backbone interact. energy: -0.886
local terms energy: -331.774455
where:
bonds (distance) C4'-P energy: -84.755
bonds (distance) P-C4' energy: -102.510
flat angles C4'-P-C4' energy: -74.521
flat angles P-C4'-P energy: -56.315
tors. eta vs tors. theta energy: -13.673
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: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -431.252774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.252774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.252774 (E_RNA)
where:
Base-Base interactions energy: -161.912
where: short stacking energy: -133.011
Base-Backbone interact. energy: 9.063
local terms energy: -278.402967
where:
bonds (distance) C4'-P energy: -80.350
bonds (distance) P-C4' energy: -101.910
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: 19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1909.794788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.794788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.794788 (E_RNA)
where:
Base-Base interactions energy: -1329.205
where: short stacking energy: -552.683
Base-Backbone interact. energy: -2.911
local terms energy: -577.677906
where:
bonds (distance) C4'-P energy: -103.654
bonds (distance) P-C4' energy: -107.097
flat angles C4'-P-C4' energy: -124.580
flat angles P-C4'-P energy: -86.624
tors. eta vs tors. theta energy: -155.724
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: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1816.174363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.174363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.174363 (E_RNA)
where:
Base-Base interactions energy: -1239.543
where: short stacking energy: -546.810
Base-Backbone interact. energy: -1.571
local terms energy: -575.060177
where:
bonds (distance) C4'-P energy: -108.435
bonds (distance) P-C4' energy: -105.127
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -155.155
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1737.161735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.161735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.161735 (E_RNA)
where:
Base-Base interactions energy: -1178.385
where: short stacking energy: -517.484
Base-Backbone interact. energy: -1.889
local terms energy: -556.887855
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -99.290
flat angles C4'-P-C4' energy: -122.065
flat angles P-C4'-P energy: -77.151
tors. eta vs tors. theta energy: -155.311
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: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1686.815660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.815660 (E_RNA)
where:
Base-Base interactions energy: -1154.192
where: short stacking energy: -495.277
Base-Backbone interact. energy: -3.020
local terms energy: -529.603759
where:
bonds (distance) C4'-P energy: -91.819
bonds (distance) P-C4' energy: -102.023
flat angles C4'-P-C4' energy: -113.162
flat angles P-C4'-P energy: -82.183
tors. eta vs tors. theta energy: -140.416
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: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1584.639856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.639856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.639856 (E_RNA)
where:
Base-Base interactions energy: -1054.169
where: short stacking energy: -451.874
Base-Backbone interact. energy: -0.358
local terms energy: -530.112167
where:
bonds (distance) C4'-P energy: -95.921
bonds (distance) P-C4' energy: -109.247
flat angles C4'-P-C4' energy: -112.827
flat angles P-C4'-P energy: -71.885
tors. eta vs tors. theta energy: -140.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1543.476969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.476969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.476969 (E_RNA)
where:
Base-Base interactions energy: -1073.385
where: short stacking energy: -461.042
Base-Backbone interact. energy: -1.714
local terms energy: -468.377939
where:
bonds (distance) C4'-P energy: -85.471
bonds (distance) P-C4' energy: -86.303
flat angles C4'-P-C4' energy: -100.232
flat angles P-C4'-P energy: -71.450
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: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1305.930810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.930810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.930810 (E_RNA)
where:
Base-Base interactions energy: -870.612
where: short stacking energy: -387.926
Base-Backbone interact. energy: -2.403
local terms energy: -432.915441
where:
bonds (distance) C4'-P energy: -102.302
bonds (distance) P-C4' energy: -76.269
flat angles C4'-P-C4' energy: -89.826
flat angles P-C4'-P energy: -67.502
tors. eta vs tors. theta energy: -97.016
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1169.269786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.269786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.269786 (E_RNA)
where:
Base-Base interactions energy: -751.526
where: short stacking energy: -323.983
Base-Backbone interact. energy: 2.205
local terms energy: -419.949501
where:
bonds (distance) C4'-P energy: -90.917
bonds (distance) P-C4' energy: -97.269
flat angles C4'-P-C4' energy: -88.473
flat angles P-C4'-P energy: -59.322
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -663.234148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.234148 (E_RNA)
where:
Base-Base interactions energy: -321.625
where: short stacking energy: -165.098
Base-Backbone interact. energy: 0.463
local terms energy: -342.072406
where:
bonds (distance) C4'-P energy: -93.587
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -76.478
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -430.578163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.578163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.578163 (E_RNA)
where:
Base-Base interactions energy: -172.946
where: short stacking energy: -115.421
Base-Backbone interact. energy: -1.232
local terms energy: -256.400173
where:
bonds (distance) C4'-P energy: -73.754
bonds (distance) P-C4' energy: -85.668
flat angles C4'-P-C4' energy: -63.279
flat angles P-C4'-P energy: -46.809
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: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1909.731005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.731005 (E_RNA)
where:
Base-Base interactions energy: -1315.676
where: short stacking energy: -563.369
Base-Backbone interact. energy: 0.601
local terms energy: -594.656027
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -116.694
flat angles C4'-P-C4' energy: -119.938
flat angles P-C4'-P energy: -76.113
tors. eta vs tors. theta energy: -163.824
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: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1811.473968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.473968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.473968 (E_RNA)
where:
Base-Base interactions energy: -1228.479
where: short stacking energy: -556.481
Base-Backbone interact. energy: -1.051
local terms energy: -581.943928
where:
bonds (distance) C4'-P energy: -103.284
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -132.465
flat angles P-C4'-P energy: -81.655
tors. eta vs tors. theta energy: -165.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1760.511366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.511366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.511366 (E_RNA)
where:
Base-Base interactions energy: -1199.112
where: short stacking energy: -533.350
Base-Backbone interact. energy: -3.818
local terms energy: -557.581088
where:
bonds (distance) C4'-P energy: -100.996
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -111.354
flat angles P-C4'-P energy: -78.131
tors. eta vs tors. theta energy: -157.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1697.135009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.135009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.135009 (E_RNA)
where:
Base-Base interactions energy: -1139.779
where: short stacking energy: -483.200
Base-Backbone interact. energy: -1.144
local terms energy: -556.211656
where:
bonds (distance) C4'-P energy: -105.665
bonds (distance) P-C4' energy: -108.151
flat angles C4'-P-C4' energy: -118.336
flat angles P-C4'-P energy: -79.573
tors. eta vs tors. theta energy: -144.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1558.139067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.139067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.139067 (E_RNA)
where:
Base-Base interactions energy: -1047.950
where: short stacking energy: -459.315
Base-Backbone interact. energy: 0.313
local terms energy: -510.501966
where:
bonds (distance) C4'-P energy: -110.713
bonds (distance) P-C4' energy: -99.642
flat angles C4'-P-C4' energy: -111.987
flat angles P-C4'-P energy: -64.623
tors. eta vs tors. theta energy: -123.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1542.048468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.048468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.048468 (E_RNA)
where:
Base-Base interactions energy: -1038.985
where: short stacking energy: -443.355
Base-Backbone interact. energy: -2.350
local terms energy: -500.713827
where:
bonds (distance) C4'-P energy: -97.217
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -113.672
flat angles P-C4'-P energy: -69.937
tors. eta vs tors. theta energy: -120.172
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: 476
Temperature: 1.200000
Total energy: -1366.270916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.270916 (E_RNA)
where:
Base-Base interactions energy: -926.735
where: short stacking energy: -425.638
Base-Backbone interact. energy: 1.208
local terms energy: -440.743350
where:
bonds (distance) C4'-P energy: -80.325
bonds (distance) P-C4' energy: -102.507
flat angles C4'-P-C4' energy: -90.754
flat angles P-C4'-P energy: -66.971
tors. eta vs tors. theta energy: -100.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1177.864640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.864640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.864640 (E_RNA)
where:
Base-Base interactions energy: -786.358
where: short stacking energy: -332.260
Base-Backbone interact. energy: -2.518
local terms energy: -388.987995
where:
bonds (distance) C4'-P energy: -77.183
bonds (distance) P-C4' energy: -84.253
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -79.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -768.196358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.196358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.196358 (E_RNA)
where:
Base-Base interactions energy: -438.216
where: short stacking energy: -210.696
Base-Backbone interact. energy: -1.532
local terms energy: -328.447937
where:
bonds (distance) C4'-P energy: -73.167
bonds (distance) P-C4' energy: -99.863
flat angles C4'-P-C4' energy: -62.961
flat angles P-C4'-P energy: -61.117
tors. eta vs tors. theta energy: -31.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -411.906411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.906411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.906411 (E_RNA)
where:
Base-Base interactions energy: -130.665
where: short stacking energy: -98.946
Base-Backbone interact. energy: 2.392
local terms energy: -283.632741
where:
bonds (distance) C4'-P energy: -82.761
bonds (distance) P-C4' energy: -91.421
flat angles C4'-P-C4' energy: -80.789
flat angles P-C4'-P energy: -61.954
tors. eta vs tors. theta energy: 33.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1902.430958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.430958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.430958 (E_RNA)
where:
Base-Base interactions energy: -1302.437
where: short stacking energy: -547.373
Base-Backbone interact. energy: -3.914
local terms energy: -596.079709
where:
bonds (distance) C4'-P energy: -110.409
bonds (distance) P-C4' energy: -109.976
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -78.335
tors. eta vs tors. theta energy: -172.660
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: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1814.416307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.416307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.416307 (E_RNA)
where:
Base-Base interactions energy: -1230.826
where: short stacking energy: -553.281
Base-Backbone interact. energy: -0.696
local terms energy: -582.894642
where:
bonds (distance) C4'-P energy: -101.832
bonds (distance) P-C4' energy: -116.255
flat angles C4'-P-C4' energy: -127.680
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -153.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1787.826189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.826189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.826189 (E_RNA)
where:
Base-Base interactions energy: -1217.672
where: short stacking energy: -540.137
Base-Backbone interact. energy: -2.573
local terms energy: -567.580838
where:
bonds (distance) C4'-P energy: -95.023
bonds (distance) P-C4' energy: -110.756
flat angles C4'-P-C4' energy: -120.036
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: -156.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1679.618907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.618907 (E_RNA)
where:
Base-Base interactions energy: -1149.328
where: short stacking energy: -521.969
Base-Backbone interact. energy: -3.149
local terms energy: -527.142410
where:
bonds (distance) C4'-P energy: -101.256
bonds (distance) P-C4' energy: -89.179
flat angles C4'-P-C4' energy: -116.176
flat angles P-C4'-P energy: -75.224
tors. eta vs tors. theta energy: -145.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1551.124422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.124422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.124422 (E_RNA)
where:
Base-Base interactions energy: -1030.349
where: short stacking energy: -458.191
Base-Backbone interact. energy: -1.860
local terms energy: -518.915446
where:
bonds (distance) C4'-P energy: -89.749
bonds (distance) P-C4' energy: -106.356
flat angles C4'-P-C4' energy: -111.580
flat angles P-C4'-P energy: -78.749
tors. eta vs tors. theta energy: -132.483
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: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1526.052498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.052498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.052498 (E_RNA)
where:
Base-Base interactions energy: -1037.186
where: short stacking energy: -450.031
Base-Backbone interact. energy: 1.710
local terms energy: -490.576958
where:
bonds (distance) C4'-P energy: -106.027
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -65.523
tors. eta vs tors. theta energy: -129.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1371.523378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.523378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.523378 (E_RNA)
where:
Base-Base interactions energy: -916.770
where: short stacking energy: -406.534
Base-Backbone interact. energy: 2.059
local terms energy: -456.812194
where:
bonds (distance) C4'-P energy: -78.531
bonds (distance) P-C4' energy: -99.103
flat angles C4'-P-C4' energy: -105.930
flat angles P-C4'-P energy: -69.535
tors. eta vs tors. theta energy: -103.713
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: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1229.416553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.416553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.416553 (E_RNA)
where:
Base-Base interactions energy: -810.610
where: short stacking energy: -358.710
Base-Backbone interact. energy: -2.020
local terms energy: -416.786520
where:
bonds (distance) C4'-P energy: -97.083
bonds (distance) P-C4' energy: -93.735
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -53.588
tors. eta vs tors. theta energy: -82.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -749.211054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.211054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.211054 (E_RNA)
where:
Base-Base interactions energy: -408.001
where: short stacking energy: -171.784
Base-Backbone interact. energy: 3.490
local terms energy: -344.699789
where:
bonds (distance) C4'-P energy: -103.407
bonds (distance) P-C4' energy: -92.988
flat angles C4'-P-C4' energy: -90.917
flat angles P-C4'-P energy: -57.320
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -463.105466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.105466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.105466 (E_RNA)
where:
Base-Base interactions energy: -194.848
where: short stacking energy: -149.165
Base-Backbone interact. energy: 2.034
local terms energy: -270.292231
where:
bonds (distance) C4'-P energy: -60.896
bonds (distance) P-C4' energy: -97.659
flat angles C4'-P-C4' energy: -81.119
flat angles P-C4'-P energy: -52.221
tors. eta vs tors. theta energy: 21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1927.695074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.695074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.695074 (E_RNA)
where:
Base-Base interactions energy: -1326.014
where: short stacking energy: -571.428
Base-Backbone interact. energy: -1.479
local terms energy: -600.202697
where:
bonds (distance) C4'-P energy: -112.920
bonds (distance) P-C4' energy: -100.907
flat angles C4'-P-C4' energy: -124.593
flat angles P-C4'-P energy: -89.312
tors. eta vs tors. theta energy: -172.471
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: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1830.533709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.533709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.533709 (E_RNA)
where:
Base-Base interactions energy: -1251.524
where: short stacking energy: -564.711
Base-Backbone interact. energy: -1.845
local terms energy: -577.164849
where:
bonds (distance) C4'-P energy: -106.022
bonds (distance) P-C4' energy: -105.766
flat angles C4'-P-C4' energy: -119.507
flat angles P-C4'-P energy: -80.205
tors. eta vs tors. theta energy: -165.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1729.999613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.999613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.999613 (E_RNA)
where:
Base-Base interactions energy: -1171.424
where: short stacking energy: -516.329
Base-Backbone interact. energy: -0.893
local terms energy: -557.682162
where:
bonds (distance) C4'-P energy: -111.602
bonds (distance) P-C4' energy: -99.640
flat angles C4'-P-C4' energy: -111.907
flat angles P-C4'-P energy: -81.375
tors. eta vs tors. theta energy: -153.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1735.258402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.258402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.258402 (E_RNA)
where:
Base-Base interactions energy: -1176.545
where: short stacking energy: -537.390
Base-Backbone interact. energy: -2.063
local terms energy: -556.649920
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -99.604
flat angles C4'-P-C4' energy: -119.068
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -155.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1573.785018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.785018 (E_RNA)
where:
Base-Base interactions energy: -1067.895
where: short stacking energy: -483.740
Base-Backbone interact. energy: 0.585
local terms energy: -506.475337
where:
bonds (distance) C4'-P energy: -96.304
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -106.558
flat angles P-C4'-P energy: -75.123
tors. eta vs tors. theta energy: -122.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1554.509778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.509778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.509778 (E_RNA)
where:
Base-Base interactions energy: -1055.848
where: short stacking energy: -464.759
Base-Backbone interact. energy: -0.489
local terms energy: -498.173358
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -102.512
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -57.752
tors. eta vs tors. theta energy: -132.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1387.870116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.870116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.870116 (E_RNA)
where:
Base-Base interactions energy: -943.696
where: short stacking energy: -407.522
Base-Backbone interact. energy: -1.233
local terms energy: -442.940838
where:
bonds (distance) C4'-P energy: -95.421
bonds (distance) P-C4' energy: -88.945
flat angles C4'-P-C4' energy: -108.086
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -110.315
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: 478
Temperature: 1.250000
Total energy: -1204.571965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.571965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.571965 (E_RNA)
where:
Base-Base interactions energy: -799.001
where: short stacking energy: -338.885
Base-Backbone interact. energy: 6.404
local terms energy: -411.974777
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -59.589
tors. eta vs tors. theta energy: -75.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -750.429798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.429798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.429798 (E_RNA)
where:
Base-Base interactions energy: -433.211
where: short stacking energy: -208.351
Base-Backbone interact. energy: -4.594
local terms energy: -312.624183
where:
bonds (distance) C4'-P energy: -81.570
bonds (distance) P-C4' energy: -79.844
flat angles C4'-P-C4' energy: -90.313
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -511.972247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.972247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.972247 (E_RNA)
where:
Base-Base interactions energy: -193.618
where: short stacking energy: -135.083
Base-Backbone interact. energy: -2.917
local terms energy: -315.437634
where:
bonds (distance) C4'-P energy: -86.827
bonds (distance) P-C4' energy: -96.317
flat angles C4'-P-C4' energy: -70.280
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: -4.176
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: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1930.123133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.123133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.123133 (E_RNA)
where:
Base-Base interactions energy: -1318.837
where: short stacking energy: -578.099
Base-Backbone interact. energy: 0.845
local terms energy: -612.131996
where:
bonds (distance) C4'-P energy: -104.911
bonds (distance) P-C4' energy: -125.027
flat angles C4'-P-C4' energy: -126.380
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -174.965
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: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1800.576298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.576298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.576298 (E_RNA)
where:
Base-Base interactions energy: -1225.782
where: short stacking energy: -561.704
Base-Backbone interact. energy: -1.156
local terms energy: -573.637987
where:
bonds (distance) C4'-P energy: -102.980
bonds (distance) P-C4' energy: -97.505
flat angles C4'-P-C4' energy: -131.257
flat angles P-C4'-P energy: -87.546
tors. eta vs tors. theta energy: -154.350
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1750.730131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.730131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.730131 (E_RNA)
where:
Base-Base interactions energy: -1201.228
where: short stacking energy: -527.259
Base-Backbone interact. energy: 2.035
local terms energy: -551.536960
where:
bonds (distance) C4'-P energy: -108.890
bonds (distance) P-C4' energy: -109.035
flat angles C4'-P-C4' energy: -108.905
flat angles P-C4'-P energy: -76.225
tors. eta vs tors. theta energy: -148.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1731.389178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.389178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.389178 (E_RNA)
where:
Base-Base interactions energy: -1170.193
where: short stacking energy: -516.344
Base-Backbone interact. energy: -1.784
local terms energy: -559.412088
where:
bonds (distance) C4'-P energy: -102.387
bonds (distance) P-C4' energy: -97.627
flat angles C4'-P-C4' energy: -121.803
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -159.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1572.413169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.413169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.413169 (E_RNA)
where:
Base-Base interactions energy: -1067.763
where: short stacking energy: -474.578
Base-Backbone interact. energy: -1.453
local terms energy: -503.197122
where:
bonds (distance) C4'-P energy: -90.129
bonds (distance) P-C4' energy: -91.455
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -140.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1559.328621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.328621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.328621 (E_RNA)
where:
Base-Base interactions energy: -1056.987
where: short stacking energy: -476.605
Base-Backbone interact. energy: -0.542
local terms energy: -501.799308
where:
bonds (distance) C4'-P energy: -94.749
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -98.669
flat angles P-C4'-P energy: -77.308
tors. eta vs tors. theta energy: -143.834
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: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1387.012849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.012849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.012849 (E_RNA)
where:
Base-Base interactions energy: -936.752
where: short stacking energy: -406.754
Base-Backbone interact. energy: 0.155
local terms energy: -450.415905
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -76.112
flat angles C4'-P-C4' energy: -104.629
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -106.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1265.436657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.436657 (E_RNA)
where:
Base-Base interactions energy: -862.393
where: short stacking energy: -369.491
Base-Backbone interact. energy: 2.193
local terms energy: -405.235974
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -100.011
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -86.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -792.199416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.199416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.199416 (E_RNA)
where:
Base-Base interactions energy: -442.794
where: short stacking energy: -209.074
Base-Backbone interact. energy: 0.693
local terms energy: -350.098291
where:
bonds (distance) C4'-P energy: -79.716
bonds (distance) P-C4' energy: -88.978
flat angles C4'-P-C4' energy: -88.867
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -30.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -480.507190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.507190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.507190 (E_RNA)
where:
Base-Base interactions energy: -195.552
where: short stacking energy: -137.370
Base-Backbone interact. energy: -2.958
local terms energy: -281.996937
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -64.364
flat angles C4'-P-C4' energy: -78.020
flat angles P-C4'-P energy: -48.692
tors. eta vs tors. theta energy: 4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1899.613571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.613571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.613571 (E_RNA)
where:
Base-Base interactions energy: -1322.460
where: short stacking energy: -548.474
Base-Backbone interact. energy: 0.793
local terms energy: -577.945675
where:
bonds (distance) C4'-P energy: -102.603
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -92.799
tors. eta vs tors. theta energy: -160.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1796.548676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.548676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.548676 (E_RNA)
where:
Base-Base interactions energy: -1195.507
where: short stacking energy: -540.038
Base-Backbone interact. energy: -4.613
local terms energy: -596.428719
where:
bonds (distance) C4'-P energy: -111.968
bonds (distance) P-C4' energy: -115.744
flat angles C4'-P-C4' energy: -117.223
flat angles P-C4'-P energy: -91.622
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: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1761.341287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.341287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.341287 (E_RNA)
where:
Base-Base interactions energy: -1206.060
where: short stacking energy: -520.510
Base-Backbone interact. energy: -0.055
local terms energy: -555.226062
where:
bonds (distance) C4'-P energy: -100.179
bonds (distance) P-C4' energy: -94.942
flat angles C4'-P-C4' energy: -120.027
flat angles P-C4'-P energy: -72.489
tors. eta vs tors. theta energy: -167.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1681.913274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.913274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.913274 (E_RNA)
where:
Base-Base interactions energy: -1141.426
where: short stacking energy: -503.129
Base-Backbone interact. energy: -1.589
local terms energy: -538.898412
where:
bonds (distance) C4'-P energy: -87.567
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -115.945
flat angles P-C4'-P energy: -76.290
tors. eta vs tors. theta energy: -148.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1611.583745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.583745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.583745 (E_RNA)
where:
Base-Base interactions energy: -1105.662
where: short stacking energy: -475.041
Base-Backbone interact. energy: -2.257
local terms energy: -503.665403
where:
bonds (distance) C4'-P energy: -89.081
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -115.624
flat angles P-C4'-P energy: -69.414
tors. eta vs tors. theta energy: -139.183
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: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1564.900003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.900003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.900003 (E_RNA)
where:
Base-Base interactions energy: -1088.025
where: short stacking energy: -462.428
Base-Backbone interact. energy: 0.492
local terms energy: -477.366971
where:
bonds (distance) C4'-P energy: -88.229
bonds (distance) P-C4' energy: -100.506
flat angles C4'-P-C4' energy: -93.418
flat angles P-C4'-P energy: -71.368
tors. eta vs tors. theta energy: -123.845
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: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1352.355041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.355041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.355041 (E_RNA)
where:
Base-Base interactions energy: -924.591
where: short stacking energy: -397.982
Base-Backbone interact. energy: 2.100
local terms energy: -429.863635
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -90.646
flat angles C4'-P-C4' energy: -83.705
flat angles P-C4'-P energy: -62.107
tors. eta vs tors. theta energy: -112.359
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1267.901703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.901703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.901703 (E_RNA)
where:
Base-Base interactions energy: -882.169
where: short stacking energy: -372.650
Base-Backbone interact. energy: 0.531
local terms energy: -386.264423
where:
bonds (distance) C4'-P energy: -80.524
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -95.436
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -55.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -849.668447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.668447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.668447 (E_RNA)
where:
Base-Base interactions energy: -508.294
where: short stacking energy: -238.386
Base-Backbone interact. energy: -2.710
local terms energy: -338.664670
where:
bonds (distance) C4'-P energy: -94.449
bonds (distance) P-C4' energy: -96.013
flat angles C4'-P-C4' energy: -78.672
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -514.716485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.716485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.716485 (E_RNA)
where:
Base-Base interactions energy: -209.277
where: short stacking energy: -156.148
Base-Backbone interact. energy: 7.337
local terms energy: -312.776286
where:
bonds (distance) C4'-P energy: -72.625
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -93.909
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -9.047
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: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1896.507837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.507837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.507837 (E_RNA)
where:
Base-Base interactions energy: -1316.451
where: short stacking energy: -578.675
Base-Backbone interact. energy: 0.646
local terms energy: -580.703269
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -116.139
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -85.745
tors. eta vs tors. theta energy: -170.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1817.898447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.898447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.898447 (E_RNA)
where:
Base-Base interactions energy: -1217.271
where: short stacking energy: -534.689
Base-Backbone interact. energy: -4.066
local terms energy: -596.561969
where:
bonds (distance) C4'-P energy: -108.657
bonds (distance) P-C4' energy: -110.380
flat angles C4'-P-C4' energy: -127.557
flat angles P-C4'-P energy: -79.195
tors. eta vs tors. theta energy: -170.773
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: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1757.950377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.950377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.950377 (E_RNA)
where:
Base-Base interactions energy: -1196.449
where: short stacking energy: -537.497
Base-Backbone interact. energy: -2.967
local terms energy: -558.534135
where:
bonds (distance) C4'-P energy: -103.298
bonds (distance) P-C4' energy: -105.373
flat angles C4'-P-C4' energy: -117.577
flat angles P-C4'-P energy: -78.746
tors. eta vs tors. theta energy: -153.539
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1693.404420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.404420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.404420 (E_RNA)
where:
Base-Base interactions energy: -1158.522
where: short stacking energy: -521.369
Base-Backbone interact. energy: -0.005
local terms energy: -534.877681
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -105.293
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -150.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1603.879947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.879947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.879947 (E_RNA)
where:
Base-Base interactions energy: -1090.574
where: short stacking energy: -476.224
Base-Backbone interact. energy: -2.184
local terms energy: -511.121342
where:
bonds (distance) C4'-P energy: -93.127
bonds (distance) P-C4' energy: -96.295
flat angles C4'-P-C4' energy: -115.459
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -140.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1548.013803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.013803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.013803 (E_RNA)
where:
Base-Base interactions energy: -1047.440
where: short stacking energy: -460.610
Base-Backbone interact. energy: 0.753
local terms energy: -501.326613
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -94.098
flat angles C4'-P-C4' energy: -110.309
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -127.476
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: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1385.256450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.256450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.256450 (E_RNA)
where:
Base-Base interactions energy: -920.922
where: short stacking energy: -416.541
Base-Backbone interact. energy: -0.665
local terms energy: -463.670173
where:
bonds (distance) C4'-P energy: -81.990
bonds (distance) P-C4' energy: -96.125
flat angles C4'-P-C4' energy: -96.108
flat angles P-C4'-P energy: -70.233
tors. eta vs tors. theta energy: -119.214
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1268.487592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.487592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.487592 (E_RNA)
where:
Base-Base interactions energy: -886.806
where: short stacking energy: -364.647
Base-Backbone interact. energy: 0.372
local terms energy: -382.053256
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -87.895
flat angles C4'-P-C4' energy: -76.284
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -74.526
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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -778.376301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.376301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.376301 (E_RNA)
where:
Base-Base interactions energy: -487.882
where: short stacking energy: -208.648
Base-Backbone interact. energy: 3.761
local terms energy: -294.255644
where:
bonds (distance) C4'-P energy: -93.958
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -84.776
flat angles P-C4'-P energy: -40.932
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -500.650726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.650726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.650726 (E_RNA)
where:
Base-Base interactions energy: -220.886
where: short stacking energy: -138.842
Base-Backbone interact. energy: -0.801
local terms energy: -278.963557
where:
bonds (distance) C4'-P energy: -88.361
bonds (distance) P-C4' energy: -89.917
flat angles C4'-P-C4' energy: -81.212
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: 18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1882.751181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.751181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.751181 (E_RNA)
where:
Base-Base interactions energy: -1298.060
where: short stacking energy: -552.821
Base-Backbone interact. energy: 0.194
local terms energy: -584.884417
where:
bonds (distance) C4'-P energy: -94.100
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -124.296
flat angles P-C4'-P energy: -84.834
tors. eta vs tors. theta energy: -168.310
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: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1818.198375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.198375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.198375 (E_RNA)
where:
Base-Base interactions energy: -1231.776
where: short stacking energy: -552.034
Base-Backbone interact. energy: -0.368
local terms energy: -586.054158
where:
bonds (distance) C4'-P energy: -115.193
bonds (distance) P-C4' energy: -98.202
flat angles C4'-P-C4' energy: -114.266
flat angles P-C4'-P energy: -83.007
tors. eta vs tors. theta energy: -175.387
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: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1752.356021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.356021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.356021 (E_RNA)
where:
Base-Base interactions energy: -1193.047
where: short stacking energy: -537.040
Base-Backbone interact. energy: -4.300
local terms energy: -555.009530
where:
bonds (distance) C4'-P energy: -107.024
bonds (distance) P-C4' energy: -108.016
flat angles C4'-P-C4' energy: -115.132
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: -152.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1680.827867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.827867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.827867 (E_RNA)
where:
Base-Base interactions energy: -1126.281
where: short stacking energy: -504.745
Base-Backbone interact. energy: -0.006
local terms energy: -554.541176
where:
bonds (distance) C4'-P energy: -111.588
bonds (distance) P-C4' energy: -105.042
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -69.654
tors. eta vs tors. theta energy: -154.197
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: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1555.115628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.115628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.115628 (E_RNA)
where:
Base-Base interactions energy: -1053.084
where: short stacking energy: -466.296
Base-Backbone interact. energy: -1.134
local terms energy: -500.897035
where:
bonds (distance) C4'-P energy: -99.914
bonds (distance) P-C4' energy: -103.041
flat angles C4'-P-C4' energy: -103.953
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -119.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1540.725941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.725941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.725941 (E_RNA)
where:
Base-Base interactions energy: -1039.562
where: short stacking energy: -462.635
Base-Backbone interact. energy: -0.585
local terms energy: -500.578835
where:
bonds (distance) C4'-P energy: -86.971
bonds (distance) P-C4' energy: -98.108
flat angles C4'-P-C4' energy: -110.636
flat angles P-C4'-P energy: -77.900
tors. eta vs tors. theta energy: -126.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1303.476530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.476530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.476530 (E_RNA)
where:
Base-Base interactions energy: -866.306
where: short stacking energy: -368.653
Base-Backbone interact. energy: -1.291
local terms energy: -435.879878
where:
bonds (distance) C4'-P energy: -106.288
bonds (distance) P-C4' energy: -80.030
flat angles C4'-P-C4' energy: -95.285
flat angles P-C4'-P energy: -68.739
tors. eta vs tors. theta energy: -85.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1287.569830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.569830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.569830 (E_RNA)
where:
Base-Base interactions energy: -883.881
where: short stacking energy: -387.447
Base-Backbone interact. energy: -0.038
local terms energy: -403.650859
where:
bonds (distance) C4'-P energy: -67.268
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -105.384
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -79.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -821.127876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.127876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.127876 (E_RNA)
where:
Base-Base interactions energy: -462.863
where: short stacking energy: -225.895
Base-Backbone interact. energy: -3.211
local terms energy: -355.054706
where:
bonds (distance) C4'-P energy: -81.237
bonds (distance) P-C4' energy: -105.838
flat angles C4'-P-C4' energy: -103.000
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -555.651762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.651762 (E_RNA)
where:
Base-Base interactions energy: -286.921
where: short stacking energy: -189.022
Base-Backbone interact. energy: 1.340
local terms energy: -270.070322
where:
bonds (distance) C4'-P energy: -77.889
bonds (distance) P-C4' energy: -74.298
flat angles C4'-P-C4' energy: -78.986
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1903.298938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.298938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.298938 (E_RNA)
where:
Base-Base interactions energy: -1306.478
where: short stacking energy: -569.323
Base-Backbone interact. energy: -0.283
local terms energy: -596.537811
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -110.107
flat angles C4'-P-C4' energy: -116.782
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -167.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1833.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.354900 (E_RNA)
where:
Base-Base interactions energy: -1250.412
where: short stacking energy: -531.741
Base-Backbone interact. energy: -2.435
local terms energy: -580.508349
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -104.718
flat angles C4'-P-C4' energy: -121.741
flat angles P-C4'-P energy: -82.614
tors. eta vs tors. theta energy: -158.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1734.097324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.097324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.097324 (E_RNA)
where:
Base-Base interactions energy: -1177.715
where: short stacking energy: -520.163
Base-Backbone interact. energy: -2.339
local terms energy: -554.043819
where:
bonds (distance) C4'-P energy: -96.801
bonds (distance) P-C4' energy: -101.579
flat angles C4'-P-C4' energy: -119.811
flat angles P-C4'-P energy: -86.163
tors. eta vs tors. theta energy: -149.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1710.235446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.235446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.235446 (E_RNA)
where:
Base-Base interactions energy: -1171.022
where: short stacking energy: -508.110
Base-Backbone interact. energy: -1.153
local terms energy: -538.059916
where:
bonds (distance) C4'-P energy: -98.396
bonds (distance) P-C4' energy: -96.390
flat angles C4'-P-C4' energy: -123.334
flat angles P-C4'-P energy: -72.216
tors. eta vs tors. theta energy: -147.724
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: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1578.679214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.679214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.679214 (E_RNA)
where:
Base-Base interactions energy: -1058.852
where: short stacking energy: -475.985
Base-Backbone interact. energy: 2.726
local terms energy: -522.553682
where:
bonds (distance) C4'-P energy: -97.004
bonds (distance) P-C4' energy: -101.145
flat angles C4'-P-C4' energy: -111.640
flat angles P-C4'-P energy: -72.965
tors. eta vs tors. theta energy: -139.800
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: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1570.174595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.174595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.174595 (E_RNA)
where:
Base-Base interactions energy: -1067.250
where: short stacking energy: -458.524
Base-Backbone interact. energy: 0.597
local terms energy: -503.521363
where:
bonds (distance) C4'-P energy: -93.168
bonds (distance) P-C4' energy: -95.450
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: -143.012
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: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1325.947440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.947440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.947440 (E_RNA)
where:
Base-Base interactions energy: -874.555
where: short stacking energy: -395.932
Base-Backbone interact. energy: 0.979
local terms energy: -452.370792
where:
bonds (distance) C4'-P energy: -100.032
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -108.545
flat angles P-C4'-P energy: -62.490
tors. eta vs tors. theta energy: -98.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1295.871053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.871053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.871053 (E_RNA)
where:
Base-Base interactions energy: -869.263
where: short stacking energy: -367.548
Base-Backbone interact. energy: 0.444
local terms energy: -427.051470
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -99.378
flat angles C4'-P-C4' energy: -109.300
flat angles P-C4'-P energy: -57.173
tors. eta vs tors. theta energy: -100.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -832.937025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.937025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.937025 (E_RNA)
where:
Base-Base interactions energy: -503.646
where: short stacking energy: -247.060
Base-Backbone interact. energy: -1.454
local terms energy: -327.837044
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -73.472
flat angles C4'-P-C4' energy: -87.401
flat angles P-C4'-P energy: -33.240
tors. eta vs tors. theta energy: -30.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -507.016162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.016162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.016162 (E_RNA)
where:
Base-Base interactions energy: -177.390
where: short stacking energy: -134.318
Base-Backbone interact. energy: 3.079
local terms energy: -332.705284
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -85.585
flat angles P-C4'-P energy: -57.779
tors. eta vs tors. theta energy: -9.878
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: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1862.973927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.973927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.973927 (E_RNA)
where:
Base-Base interactions energy: -1257.591
where: short stacking energy: -552.797
Base-Backbone interact. energy: -6.381
local terms energy: -599.002096
where:
bonds (distance) C4'-P energy: -99.579
bonds (distance) P-C4' energy: -120.267
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -82.678
tors. eta vs tors. theta energy: -170.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1868.705683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.705683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.705683 (E_RNA)
where:
Base-Base interactions energy: -1271.588
where: short stacking energy: -555.599
Base-Backbone interact. energy: -4.431
local terms energy: -592.687102
where:
bonds (distance) C4'-P energy: -104.293
bonds (distance) P-C4' energy: -117.846
flat angles C4'-P-C4' energy: -114.689
flat angles P-C4'-P energy: -89.284
tors. eta vs tors. theta energy: -166.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1739.140483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.140483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.140483 (E_RNA)
where:
Base-Base interactions energy: -1205.731
where: short stacking energy: -526.570
Base-Backbone interact. energy: -0.470
local terms energy: -532.939924
where:
bonds (distance) C4'-P energy: -87.095
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -126.562
flat angles P-C4'-P energy: -75.133
tors. eta vs tors. theta energy: -151.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1648.113860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.113860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.113860 (E_RNA)
where:
Base-Base interactions energy: -1124.745
where: short stacking energy: -479.322
Base-Backbone interact. energy: 4.642
local terms energy: -528.010965
where:
bonds (distance) C4'-P energy: -91.769
bonds (distance) P-C4' energy: -100.654
flat angles C4'-P-C4' energy: -109.648
flat angles P-C4'-P energy: -85.776
tors. eta vs tors. theta energy: -140.164
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: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1625.314493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.314493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.314493 (E_RNA)
where:
Base-Base interactions energy: -1104.779
where: short stacking energy: -495.756
Base-Backbone interact. energy: -0.482
local terms energy: -520.053651
where:
bonds (distance) C4'-P energy: -101.569
bonds (distance) P-C4' energy: -95.827
flat angles C4'-P-C4' energy: -118.877
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -141.098
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: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1485.509173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.509173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.509173 (E_RNA)
where:
Base-Base interactions energy: -991.029
where: short stacking energy: -425.109
Base-Backbone interact. energy: -0.771
local terms energy: -493.708904
where:
bonds (distance) C4'-P energy: -96.439
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -112.183
flat angles P-C4'-P energy: -77.630
tors. eta vs tors. theta energy: -109.776
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: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1357.776683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.776683 (E_RNA)
where:
Base-Base interactions energy: -906.182
where: short stacking energy: -397.422
Base-Backbone interact. energy: 0.020
local terms energy: -451.614911
where:
bonds (distance) C4'-P energy: -97.769
bonds (distance) P-C4' energy: -91.095
flat angles C4'-P-C4' energy: -101.455
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -100.665
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: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1255.134826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.134826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.134826 (E_RNA)
where:
Base-Base interactions energy: -833.137
where: short stacking energy: -339.285
Base-Backbone interact. energy: 0.753
local terms energy: -422.750865
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -81.486
flat angles C4'-P-C4' energy: -107.729
flat angles P-C4'-P energy: -66.478
tors. eta vs tors. theta energy: -74.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -803.759664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.759664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.759664 (E_RNA)
where:
Base-Base interactions energy: -461.926
where: short stacking energy: -209.649
Base-Backbone interact. energy: -1.097
local terms energy: -340.736625
where:
bonds (distance) C4'-P energy: -91.670
bonds (distance) P-C4' energy: -102.956
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -505.581578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.581578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.581578 (E_RNA)
where:
Base-Base interactions energy: -230.763
where: short stacking energy: -157.698
Base-Backbone interact. energy: 5.041
local terms energy: -279.859315
where:
bonds (distance) C4'-P energy: -71.601
bonds (distance) P-C4' energy: -94.142
flat angles C4'-P-C4' energy: -77.697
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1874.058279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.058279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.058279 (E_RNA)
where:
Base-Base interactions energy: -1279.733
where: short stacking energy: -556.147
Base-Backbone interact. energy: -1.822
local terms energy: -592.504044
where:
bonds (distance) C4'-P energy: -100.714
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -126.162
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -170.945
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: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1839.514829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.514829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.514829 (E_RNA)
where:
Base-Base interactions energy: -1260.331
where: short stacking energy: -550.428
Base-Backbone interact. energy: -1.859
local terms energy: -577.324439
where:
bonds (distance) C4'-P energy: -93.454
bonds (distance) P-C4' energy: -116.035
flat angles C4'-P-C4' energy: -113.663
flat angles P-C4'-P energy: -86.819
tors. eta vs tors. theta energy: -167.353
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1703.638653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.638653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.638653 (E_RNA)
where:
Base-Base interactions energy: -1172.560
where: short stacking energy: -524.448
Base-Backbone interact. energy: -0.196
local terms energy: -530.882645
where:
bonds (distance) C4'-P energy: -103.328
bonds (distance) P-C4' energy: -89.499
flat angles C4'-P-C4' energy: -117.662
flat angles P-C4'-P energy: -76.100
tors. eta vs tors. theta energy: -144.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1661.782973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.782973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.782973 (E_RNA)
where:
Base-Base interactions energy: -1141.285
where: short stacking energy: -491.369
Base-Backbone interact. energy: -2.226
local terms energy: -518.271759
where:
bonds (distance) C4'-P energy: -91.758
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -116.635
flat angles P-C4'-P energy: -71.134
tors. eta vs tors. theta energy: -137.329
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: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1638.540129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.540129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.540129 (E_RNA)
where:
Base-Base interactions energy: -1145.378
where: short stacking energy: -501.017
Base-Backbone interact. energy: 1.783
local terms energy: -494.945758
where:
bonds (distance) C4'-P energy: -90.047
bonds (distance) P-C4' energy: -75.651
flat angles C4'-P-C4' energy: -113.667
flat angles P-C4'-P energy: -76.454
tors. eta vs tors. theta energy: -139.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1505.050826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.050826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.050826 (E_RNA)
where:
Base-Base interactions energy: -1005.970
where: short stacking energy: -449.075
Base-Backbone interact. energy: -1.097
local terms energy: -497.983210
where:
bonds (distance) C4'-P energy: -91.539
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -107.465
flat angles P-C4'-P energy: -75.946
tors. eta vs tors. theta energy: -130.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1386.489361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.489361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.489361 (E_RNA)
where:
Base-Base interactions energy: -941.939
where: short stacking energy: -401.571
Base-Backbone interact. energy: 3.741
local terms energy: -448.291433
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -95.574
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -109.255
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1245.927351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.927351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.927351 (E_RNA)
where:
Base-Base interactions energy: -836.832
where: short stacking energy: -345.155
Base-Backbone interact. energy: 0.391
local terms energy: -409.486421
where:
bonds (distance) C4'-P energy: -83.886
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -104.614
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -75.481
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: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -851.521103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.521103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.521103 (E_RNA)
where:
Base-Base interactions energy: -521.816
where: short stacking energy: -257.762
Base-Backbone interact. energy: -2.184
local terms energy: -327.520917
where:
bonds (distance) C4'-P energy: -73.333
bonds (distance) P-C4' energy: -100.610
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -58.484
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -501.115138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.115138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.115138 (E_RNA)
where:
Base-Base interactions energy: -203.740
where: short stacking energy: -128.731
Base-Backbone interact. energy: 1.503
local terms energy: -298.878540
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -95.641
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: 13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1869.387024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.387024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.387024 (E_RNA)
where:
Base-Base interactions energy: -1280.148
where: short stacking energy: -554.468
Base-Backbone interact. energy: -1.114
local terms energy: -588.124501
where:
bonds (distance) C4'-P energy: -101.126
bonds (distance) P-C4' energy: -115.139
flat angles C4'-P-C4' energy: -126.730
flat angles P-C4'-P energy: -79.016
tors. eta vs tors. theta energy: -166.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1835.268952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.268952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.268952 (E_RNA)
where:
Base-Base interactions energy: -1273.797
where: short stacking energy: -557.581
Base-Backbone interact. energy: 0.674
local terms energy: -562.146252
where:
bonds (distance) C4'-P energy: -91.439
bonds (distance) P-C4' energy: -103.899
flat angles C4'-P-C4' energy: -117.697
flat angles P-C4'-P energy: -84.882
tors. eta vs tors. theta energy: -164.229
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: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1688.880313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.880313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.880313 (E_RNA)
where:
Base-Base interactions energy: -1170.204
where: short stacking energy: -519.379
Base-Backbone interact. energy: -2.712
local terms energy: -515.964524
where:
bonds (distance) C4'-P energy: -93.814
bonds (distance) P-C4' energy: -106.348
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -145.764
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: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1627.153367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.153367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.153367 (E_RNA)
where:
Base-Base interactions energy: -1093.343
where: short stacking energy: -471.146
Base-Backbone interact. energy: -1.369
local terms energy: -532.441640
where:
bonds (distance) C4'-P energy: -93.483
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -115.243
flat angles P-C4'-P energy: -80.147
tors. eta vs tors. theta energy: -147.572
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: 486
Temperature: 1.100000
Total energy: -1635.687343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.687343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.687343 (E_RNA)
where:
Base-Base interactions energy: -1118.468
where: short stacking energy: -495.327
Base-Backbone interact. energy: -0.597
local terms energy: -516.622748
where:
bonds (distance) C4'-P energy: -84.337
bonds (distance) P-C4' energy: -106.949
flat angles C4'-P-C4' energy: -109.232
flat angles P-C4'-P energy: -73.436
tors. eta vs tors. theta energy: -142.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1500.811696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.811696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.811696 (E_RNA)
where:
Base-Base interactions energy: -1022.211
where: short stacking energy: -440.405
Base-Backbone interact. energy: -4.705
local terms energy: -473.895602
where:
bonds (distance) C4'-P energy: -91.174
bonds (distance) P-C4' energy: -93.762
flat angles C4'-P-C4' energy: -106.413
flat angles P-C4'-P energy: -65.118
tors. eta vs tors. theta energy: -117.428
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: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1412.539557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.539557 (E_RNA)
where:
Base-Base interactions energy: -968.679
where: short stacking energy: -425.913
Base-Backbone interact. energy: 0.264
local terms energy: -444.124621
where:
bonds (distance) C4'-P energy: -81.203
bonds (distance) P-C4' energy: -86.197
flat angles C4'-P-C4' energy: -104.202
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -119.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1201.824990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.824990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.824990 (E_RNA)
where:
Base-Base interactions energy: -823.320
where: short stacking energy: -344.438
Base-Backbone interact. energy: 0.111
local terms energy: -378.615509
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -76.893
flat angles C4'-P-C4' energy: -97.840
flat angles P-C4'-P energy: -53.612
tors. eta vs tors. theta energy: -70.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -901.334657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.334657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.334657 (E_RNA)
where:
Base-Base interactions energy: -546.886
where: short stacking energy: -261.698
Base-Backbone interact. energy: -2.436
local terms energy: -352.012391
where:
bonds (distance) C4'-P energy: -89.088
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -82.870
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -39.655
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: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -482.141599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.141599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.141599 (E_RNA)
where:
Base-Base interactions energy: -217.102
where: short stacking energy: -135.354
Base-Backbone interact. energy: 0.415
local terms energy: -265.454709
where:
bonds (distance) C4'-P energy: -82.435
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: 17.511
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: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1879.883460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.883460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.883460 (E_RNA)
where:
Base-Base interactions energy: -1279.218
where: short stacking energy: -565.836
Base-Backbone interact. energy: 0.277
local terms energy: -600.942421
where:
bonds (distance) C4'-P energy: -113.779
bonds (distance) P-C4' energy: -114.689
flat angles C4'-P-C4' energy: -122.121
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -173.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1855.793246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.793246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.793246 (E_RNA)
where:
Base-Base interactions energy: -1283.965
where: short stacking energy: -577.511
Base-Backbone interact. energy: -2.151
local terms energy: -569.676508
where:
bonds (distance) C4'-P energy: -85.657
bonds (distance) P-C4' energy: -112.357
flat angles C4'-P-C4' energy: -119.950
flat angles P-C4'-P energy: -86.018
tors. eta vs tors. theta energy: -165.694
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: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1703.125443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.125443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.125443 (E_RNA)
where:
Base-Base interactions energy: -1168.275
where: short stacking energy: -506.623
Base-Backbone interact. energy: 0.008
local terms energy: -534.858210
where:
bonds (distance) C4'-P energy: -97.047
bonds (distance) P-C4' energy: -101.003
flat angles C4'-P-C4' energy: -123.824
flat angles P-C4'-P energy: -73.602
tors. eta vs tors. theta energy: -139.382
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: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1725.140903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.140903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.140903 (E_RNA)
where:
Base-Base interactions energy: -1173.460
where: short stacking energy: -514.477
Base-Backbone interact. energy: -1.220
local terms energy: -550.460755
where:
bonds (distance) C4'-P energy: -110.150
bonds (distance) P-C4' energy: -105.859
flat angles C4'-P-C4' energy: -113.565
flat angles P-C4'-P energy: -83.004
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: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1616.190874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.190874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.190874 (E_RNA)
where:
Base-Base interactions energy: -1123.217
where: short stacking energy: -485.942
Base-Backbone interact. energy: -1.588
local terms energy: -491.385624
where:
bonds (distance) C4'-P energy: -85.652
bonds (distance) P-C4' energy: -90.304
flat angles C4'-P-C4' energy: -112.863
flat angles P-C4'-P energy: -61.678
tors. eta vs tors. theta energy: -140.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1523.771007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.771007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.771007 (E_RNA)
where:
Base-Base interactions energy: -1072.764
where: short stacking energy: -476.309
Base-Backbone interact. energy: 3.929
local terms energy: -454.936043
where:
bonds (distance) C4'-P energy: -87.147
bonds (distance) P-C4' energy: -77.117
flat angles C4'-P-C4' energy: -101.271
flat angles P-C4'-P energy: -62.967
tors. eta vs tors. theta energy: -126.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1396.427447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.427447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.427447 (E_RNA)
where:
Base-Base interactions energy: -925.165
where: short stacking energy: -402.068
Base-Backbone interact. energy: 0.483
local terms energy: -471.744958
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -104.622
flat angles C4'-P-C4' energy: -102.094
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -103.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1196.430675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.430675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.430675 (E_RNA)
where:
Base-Base interactions energy: -784.110
where: short stacking energy: -339.975
Base-Backbone interact. energy: 4.623
local terms energy: -416.943659
where:
bonds (distance) C4'-P energy: -88.652
bonds (distance) P-C4' energy: -102.548
flat angles C4'-P-C4' energy: -87.951
flat angles P-C4'-P energy: -56.861
tors. eta vs tors. theta energy: -80.932
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: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -864.847797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.847797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.847797 (E_RNA)
where:
Base-Base interactions energy: -533.579
where: short stacking energy: -254.503
Base-Backbone interact. energy: -2.591
local terms energy: -328.677040
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -82.996
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -504.929947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.929947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.929947 (E_RNA)
where:
Base-Base interactions energy: -222.996
where: short stacking energy: -156.284
Base-Backbone interact. energy: 5.130
local terms energy: -287.064587
where:
bonds (distance) C4'-P energy: -89.061
bonds (distance) P-C4' energy: -90.130
flat angles C4'-P-C4' energy: -73.154
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: 6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1876.177076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.177076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.177076 (E_RNA)
where:
Base-Base interactions energy: -1308.337
where: short stacking energy: -577.321
Base-Backbone interact. energy: -0.986
local terms energy: -566.854371
where:
bonds (distance) C4'-P energy: -103.353
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -110.874
flat angles P-C4'-P energy: -74.852
tors. eta vs tors. theta energy: -170.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1853.900842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.900842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.900842 (E_RNA)
where:
Base-Base interactions energy: -1264.470
where: short stacking energy: -565.142
Base-Backbone interact. energy: -2.589
local terms energy: -586.841176
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -105.478
flat angles C4'-P-C4' energy: -125.259
flat angles P-C4'-P energy: -85.653
tors. eta vs tors. theta energy: -177.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1704.174986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.174986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.174986 (E_RNA)
where:
Base-Base interactions energy: -1182.817
where: short stacking energy: -507.056
Base-Backbone interact. energy: 1.193
local terms energy: -522.551142
where:
bonds (distance) C4'-P energy: -98.864
bonds (distance) P-C4' energy: -106.315
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -134.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1685.655860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.655860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.655860 (E_RNA)
where:
Base-Base interactions energy: -1173.568
where: short stacking energy: -517.137
Base-Backbone interact. energy: -0.530
local terms energy: -511.557756
where:
bonds (distance) C4'-P energy: -92.218
bonds (distance) P-C4' energy: -87.827
flat angles C4'-P-C4' energy: -112.162
flat angles P-C4'-P energy: -59.875
tors. eta vs tors. theta energy: -159.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1612.183473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.183473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.183473 (E_RNA)
where:
Base-Base interactions energy: -1118.886
where: short stacking energy: -471.062
Base-Backbone interact. energy: -1.058
local terms energy: -492.240293
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -87.864
flat angles C4'-P-C4' energy: -108.221
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -141.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1525.454491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.454491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.454491 (E_RNA)
where:
Base-Base interactions energy: -1029.898
where: short stacking energy: -457.281
Base-Backbone interact. energy: -1.725
local terms energy: -493.830978
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -102.472
flat angles C4'-P-C4' energy: -100.192
flat angles P-C4'-P energy: -65.489
tors. eta vs tors. theta energy: -134.657
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: 488
Temperature: 1.200000
Total energy: -1390.586899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.586899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.586899 (E_RNA)
where:
Base-Base interactions energy: -938.984
where: short stacking energy: -418.223
Base-Backbone interact. energy: 0.177
local terms energy: -451.779435
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -91.848
flat angles C4'-P-C4' energy: -89.558
flat angles P-C4'-P energy: -64.037
tors. eta vs tors. theta energy: -107.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1183.434324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.434324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.434324 (E_RNA)
where:
Base-Base interactions energy: -788.306
where: short stacking energy: -335.988
Base-Backbone interact. energy: -2.295
local terms energy: -392.833201
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -91.174
flat angles P-C4'-P energy: -56.835
tors. eta vs tors. theta energy: -58.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -851.951102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.951102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.951102 (E_RNA)
where:
Base-Base interactions energy: -513.698
where: short stacking energy: -240.556
Base-Backbone interact. energy: 0.539
local terms energy: -338.792231
where:
bonds (distance) C4'-P energy: -73.622
bonds (distance) P-C4' energy: -95.268
flat angles C4'-P-C4' energy: -88.734
flat angles P-C4'-P energy: -52.481
tors. eta vs tors. theta energy: -28.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -476.215596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.215596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.215596 (E_RNA)
where:
Base-Base interactions energy: -173.402
where: short stacking energy: -101.865
Base-Backbone interact. energy: -2.953
local terms energy: -299.860017
where:
bonds (distance) C4'-P energy: -82.335
bonds (distance) P-C4' energy: -89.797
flat angles C4'-P-C4' energy: -90.526
flat angles P-C4'-P energy: -51.048
tors. eta vs tors. theta energy: 13.846
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: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1878.621867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.621867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.621867 (E_RNA)
where:
Base-Base interactions energy: -1284.325
where: short stacking energy: -552.230
Base-Backbone interact. energy: -0.619
local terms energy: -593.677902
where:
bonds (distance) C4'-P energy: -99.067
bonds (distance) P-C4' energy: -116.767
flat angles C4'-P-C4' energy: -120.928
flat angles P-C4'-P energy: -84.736
tors. eta vs tors. theta energy: -172.179
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: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1852.200322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.200322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.200322 (E_RNA)
where:
Base-Base interactions energy: -1252.609
where: short stacking energy: -564.508
Base-Backbone interact. energy: 0.448
local terms energy: -600.039220
where:
bonds (distance) C4'-P energy: -106.210
bonds (distance) P-C4' energy: -107.815
flat angles C4'-P-C4' energy: -118.418
flat angles P-C4'-P energy: -92.597
tors. eta vs tors. theta energy: -174.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1723.992948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.992948 (E_RNA)
where:
Base-Base interactions energy: -1198.833
where: short stacking energy: -515.343
Base-Backbone interact. energy: -2.445
local terms energy: -522.715240
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -112.434
flat angles P-C4'-P energy: -83.584
tors. eta vs tors. theta energy: -138.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1700.778953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.778953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.778953 (E_RNA)
where:
Base-Base interactions energy: -1149.969
where: short stacking energy: -515.570
Base-Backbone interact. energy: -1.698
local terms energy: -549.112088
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -109.490
flat angles P-C4'-P energy: -86.846
tors. eta vs tors. theta energy: -158.597
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1638.335017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.335017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.335017 (E_RNA)
where:
Base-Base interactions energy: -1110.668
where: short stacking energy: -498.612
Base-Backbone interact. energy: 4.252
local terms energy: -531.919095
where:
bonds (distance) C4'-P energy: -98.568
bonds (distance) P-C4' energy: -101.334
flat angles C4'-P-C4' energy: -108.800
flat angles P-C4'-P energy: -75.615
tors. eta vs tors. theta energy: -147.603
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: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1500.537247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.537247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.537247 (E_RNA)
where:
Base-Base interactions energy: -1012.393
where: short stacking energy: -426.725
Base-Backbone interact. energy: -1.044
local terms energy: -487.100263
where:
bonds (distance) C4'-P energy: -103.310
bonds (distance) P-C4' energy: -100.815
flat angles C4'-P-C4' energy: -102.023
flat angles P-C4'-P energy: -65.621
tors. eta vs tors. theta energy: -115.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1371.969768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.969768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.969768 (E_RNA)
where:
Base-Base interactions energy: -920.759
where: short stacking energy: -384.848
Base-Backbone interact. energy: 1.037
local terms energy: -452.247717
where:
bonds (distance) C4'-P energy: -85.493
bonds (distance) P-C4' energy: -92.266
flat angles C4'-P-C4' energy: -99.119
flat angles P-C4'-P energy: -68.000
tors. eta vs tors. theta energy: -107.369
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: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1201.247408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.247408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.247408 (E_RNA)
where:
Base-Base interactions energy: -792.704
where: short stacking energy: -337.497
Base-Backbone interact. energy: -3.885
local terms energy: -404.658912
where:
bonds (distance) C4'-P energy: -90.887
bonds (distance) P-C4' energy: -82.693
flat angles C4'-P-C4' energy: -85.204
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -85.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -910.486753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.486753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.486753 (E_RNA)
where:
Base-Base interactions energy: -559.406
where: short stacking energy: -249.604
Base-Backbone interact. energy: -1.184
local terms energy: -349.896557
where:
bonds (distance) C4'-P energy: -86.020
bonds (distance) P-C4' energy: -89.643
flat angles C4'-P-C4' energy: -84.819
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -42.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -469.005447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.005447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.005447 (E_RNA)
where:
Base-Base interactions energy: -176.305
where: short stacking energy: -150.310
Base-Backbone interact. energy: 1.135
local terms energy: -293.834645
where:
bonds (distance) C4'-P energy: -80.767
bonds (distance) P-C4' energy: -99.591
flat angles C4'-P-C4' energy: -74.527
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: 5.561
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: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1880.032488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.032488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.032488 (E_RNA)
where:
Base-Base interactions energy: -1307.737
where: short stacking energy: -549.936
Base-Backbone interact. energy: -4.726
local terms energy: -567.569876
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -101.402
flat angles C4'-P-C4' energy: -123.061
flat angles P-C4'-P energy: -90.473
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: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1821.956415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.956415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.956415 (E_RNA)
where:
Base-Base interactions energy: -1235.441
where: short stacking energy: -548.518
Base-Backbone interact. energy: -2.064
local terms energy: -584.451537
where:
bonds (distance) C4'-P energy: -103.599
bonds (distance) P-C4' energy: -110.058
flat angles C4'-P-C4' energy: -127.892
flat angles P-C4'-P energy: -87.770
tors. eta vs tors. theta energy: -155.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1704.073768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.073768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.073768 (E_RNA)
where:
Base-Base interactions energy: -1158.713
where: short stacking energy: -497.359
Base-Backbone interact. energy: -3.712
local terms energy: -541.648634
where:
bonds (distance) C4'-P energy: -106.440
bonds (distance) P-C4' energy: -107.883
flat angles C4'-P-C4' energy: -97.582
flat angles P-C4'-P energy: -85.803
tors. eta vs tors. theta energy: -143.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1671.489736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.489736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.489736 (E_RNA)
where:
Base-Base interactions energy: -1136.911
where: short stacking energy: -488.048
Base-Backbone interact. energy: -0.217
local terms energy: -534.362156
where:
bonds (distance) C4'-P energy: -110.280
bonds (distance) P-C4' energy: -101.670
flat angles C4'-P-C4' energy: -113.705
flat angles P-C4'-P energy: -77.914
tors. eta vs tors. theta energy: -130.793
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: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1632.320029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.320029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.320029 (E_RNA)
where:
Base-Base interactions energy: -1110.686
where: short stacking energy: -489.516
Base-Backbone interact. energy: -0.862
local terms energy: -520.771830
where:
bonds (distance) C4'-P energy: -99.535
bonds (distance) P-C4' energy: -101.617
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -62.382
tors. eta vs tors. theta energy: -139.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1520.986431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.986431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.986431 (E_RNA)
where:
Base-Base interactions energy: -1018.961
where: short stacking energy: -436.814
Base-Backbone interact. energy: 0.729
local terms energy: -502.754600
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -103.088
flat angles C4'-P-C4' energy: -99.147
flat angles P-C4'-P energy: -67.704
tors. eta vs tors. theta energy: -133.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1322.791205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.791205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.791205 (E_RNA)
where:
Base-Base interactions energy: -899.836
where: short stacking energy: -381.828
Base-Backbone interact. energy: -3.637
local terms energy: -419.318163
where:
bonds (distance) C4'-P energy: -80.342
bonds (distance) P-C4' energy: -83.711
flat angles C4'-P-C4' energy: -92.047
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -99.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1189.359883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.359883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.359883 (E_RNA)
where:
Base-Base interactions energy: -789.577
where: short stacking energy: -322.750
Base-Backbone interact. energy: 2.092
local terms energy: -401.874270
where:
bonds (distance) C4'-P energy: -87.413
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -83.417
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -72.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -900.131296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.131296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.131296 (E_RNA)
where:
Base-Base interactions energy: -562.602
where: short stacking energy: -271.582
Base-Backbone interact. energy: 1.414
local terms energy: -338.943289
where:
bonds (distance) C4'-P energy: -83.085
bonds (distance) P-C4' energy: -87.958
flat angles C4'-P-C4' energy: -75.225
flat angles P-C4'-P energy: -59.998
tors. eta vs tors. theta energy: -32.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -427.753537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.753537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.753537 (E_RNA)
where:
Base-Base interactions energy: -159.050
where: short stacking energy: -130.875
Base-Backbone interact. energy: 0.363
local terms energy: -269.066124
where:
bonds (distance) C4'-P energy: -77.831
bonds (distance) P-C4' energy: -94.895
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: 6.189
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: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1893.599194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.599194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.599194 (E_RNA)
where:
Base-Base interactions energy: -1314.853
where: short stacking energy: -561.322
Base-Backbone interact. energy: 0.889
local terms energy: -579.635787
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -112.006
flat angles C4'-P-C4' energy: -119.423
flat angles P-C4'-P energy: -84.994
tors. eta vs tors. theta energy: -162.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1831.607137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.607137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.607137 (E_RNA)
where:
Base-Base interactions energy: -1244.770
where: short stacking energy: -559.893
Base-Backbone interact. energy: 0.246
local terms energy: -587.082693
where:
bonds (distance) C4'-P energy: -104.423
bonds (distance) P-C4' energy: -117.063
flat angles C4'-P-C4' energy: -117.490
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -162.073
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: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1728.084018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.084018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.084018 (E_RNA)
where:
Base-Base interactions energy: -1180.108
where: short stacking energy: -518.192
Base-Backbone interact. energy: -0.445
local terms energy: -547.530260
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -102.127
flat angles C4'-P-C4' energy: -118.578
flat angles P-C4'-P energy: -86.471
tors. eta vs tors. theta energy: -144.312
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: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1696.479581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.479581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.479581 (E_RNA)
where:
Base-Base interactions energy: -1159.819
where: short stacking energy: -532.819
Base-Backbone interact. energy: -2.486
local terms energy: -534.175416
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -93.359
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -66.738
tors. eta vs tors. theta energy: -157.440
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: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1628.817058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.817058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.817058 (E_RNA)
where:
Base-Base interactions energy: -1132.409
where: short stacking energy: -499.759
Base-Backbone interact. energy: -1.847
local terms energy: -494.560882
where:
bonds (distance) C4'-P energy: -100.473
bonds (distance) P-C4' energy: -83.166
flat angles C4'-P-C4' energy: -99.297
flat angles P-C4'-P energy: -66.867
tors. eta vs tors. theta energy: -144.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1504.435257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.435257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.435257 (E_RNA)
where:
Base-Base interactions energy: -1012.800
where: short stacking energy: -450.902
Base-Backbone interact. energy: -0.715
local terms energy: -490.919996
where:
bonds (distance) C4'-P energy: -94.321
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -112.940
flat angles P-C4'-P energy: -65.567
tors. eta vs tors. theta energy: -129.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1323.759120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.759120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.759120 (E_RNA)
where:
Base-Base interactions energy: -900.711
where: short stacking energy: -359.145
Base-Backbone interact. energy: 2.262
local terms energy: -425.310116
where:
bonds (distance) C4'-P energy: -89.307
bonds (distance) P-C4' energy: -88.268
flat angles C4'-P-C4' energy: -92.252
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -82.872
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: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1270.226950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.226950 (E_RNA)
where:
Base-Base interactions energy: -854.344
where: short stacking energy: -373.560
Base-Backbone interact. energy: -1.989
local terms energy: -413.893899
where:
bonds (distance) C4'-P energy: -87.800
bonds (distance) P-C4' energy: -79.772
flat angles C4'-P-C4' energy: -95.699
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -90.370
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: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -844.431649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.431649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.431649 (E_RNA)
where:
Base-Base interactions energy: -495.069
where: short stacking energy: -228.184
Base-Backbone interact. energy: 3.169
local terms energy: -352.531139
where:
bonds (distance) C4'-P energy: -99.164
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -63.908
flat angles P-C4'-P energy: -59.083
tors. eta vs tors. theta energy: -35.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -417.226464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.226464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.226464 (E_RNA)
where:
Base-Base interactions energy: -146.729
where: short stacking energy: -117.655
Base-Backbone interact. energy: -1.708
local terms energy: -268.789070
where:
bonds (distance) C4'-P energy: -64.686
bonds (distance) P-C4' energy: -85.759
flat angles C4'-P-C4' energy: -91.727
flat angles P-C4'-P energy: -33.023
tors. eta vs tors. theta energy: 6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1873.191857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.191857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.191857 (E_RNA)
where:
Base-Base interactions energy: -1268.499
where: short stacking energy: -543.915
Base-Backbone interact. energy: -3.801
local terms energy: -600.891951
where:
bonds (distance) C4'-P energy: -115.121
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -124.162
flat angles P-C4'-P energy: -86.803
tors. eta vs tors. theta energy: -163.122
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: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1813.877003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.877003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.877003 (E_RNA)
where:
Base-Base interactions energy: -1223.711
where: short stacking energy: -551.810
Base-Backbone interact. energy: -1.392
local terms energy: -588.773432
where:
bonds (distance) C4'-P energy: -104.848
bonds (distance) P-C4' energy: -110.936
flat angles C4'-P-C4' energy: -120.947
flat angles P-C4'-P energy: -78.863
tors. eta vs tors. theta energy: -173.179
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: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1721.857869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.857869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.857869 (E_RNA)
where:
Base-Base interactions energy: -1181.941
where: short stacking energy: -503.965
Base-Backbone interact. energy: -0.459
local terms energy: -539.458494
where:
bonds (distance) C4'-P energy: -102.910
bonds (distance) P-C4' energy: -79.412
flat angles C4'-P-C4' energy: -123.060
flat angles P-C4'-P energy: -94.204
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: 4, replica: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1666.320606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.320606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.320606 (E_RNA)
where:
Base-Base interactions energy: -1156.598
where: short stacking energy: -518.063
Base-Backbone interact. energy: 10.460
local terms energy: -520.182402
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -109.619
flat angles P-C4'-P energy: -77.718
tors. eta vs tors. theta energy: -144.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1624.860076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.860076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.860076 (E_RNA)
where:
Base-Base interactions energy: -1115.680
where: short stacking energy: -489.269
Base-Backbone interact. energy: -0.229
local terms energy: -508.950363
where:
bonds (distance) C4'-P energy: -84.330
bonds (distance) P-C4' energy: -89.676
flat angles C4'-P-C4' energy: -106.610
flat angles P-C4'-P energy: -86.428
tors. eta vs tors. theta energy: -141.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1517.512577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.512577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.512577 (E_RNA)
where:
Base-Base interactions energy: -1030.383
where: short stacking energy: -438.122
Base-Backbone interact. energy: 1.485
local terms energy: -488.614162
where:
bonds (distance) C4'-P energy: -94.020
bonds (distance) P-C4' energy: -87.503
flat angles C4'-P-C4' energy: -108.345
flat angles P-C4'-P energy: -72.733
tors. eta vs tors. theta energy: -126.013
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: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1392.037545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.037545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.037545 (E_RNA)
where:
Base-Base interactions energy: -945.003
where: short stacking energy: -376.444
Base-Backbone interact. energy: -2.886
local terms energy: -444.147739
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -104.116
flat angles P-C4'-P energy: -72.606
tors. eta vs tors. theta energy: -91.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1212.856792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.856792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.856792 (E_RNA)
where:
Base-Base interactions energy: -795.899
where: short stacking energy: -358.132
Base-Backbone interact. energy: -2.252
local terms energy: -414.705682
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -82.624
flat angles C4'-P-C4' energy: -96.259
flat angles P-C4'-P energy: -59.332
tors. eta vs tors. theta energy: -78.931
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: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -836.680137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.680137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.680137 (E_RNA)
where:
Base-Base interactions energy: -486.240
where: short stacking energy: -235.952
Base-Backbone interact. energy: 0.093
local terms energy: -350.533054
where:
bonds (distance) C4'-P energy: -85.540
bonds (distance) P-C4' energy: -79.945
flat angles C4'-P-C4' energy: -100.067
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -407.734509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.734509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.734509 (E_RNA)
where:
Base-Base interactions energy: -131.395
where: short stacking energy: -115.370
Base-Backbone interact. energy: -0.203
local terms energy: -276.136432
where:
bonds (distance) C4'-P energy: -88.712
bonds (distance) P-C4' energy: -77.136
flat angles C4'-P-C4' energy: -73.776
flat angles P-C4'-P energy: -51.030
tors. eta vs tors. theta energy: 14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1875.985345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.985345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.985345 (E_RNA)
where:
Base-Base interactions energy: -1281.746
where: short stacking energy: -551.715
Base-Backbone interact. energy: -2.550
local terms energy: -591.689133
where:
bonds (distance) C4'-P energy: -108.000
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -120.084
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -166.559
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: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1808.248887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.248887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.248887 (E_RNA)
where:
Base-Base interactions energy: -1217.192
where: short stacking energy: -554.171
Base-Backbone interact. energy: -2.186
local terms energy: -588.871399
where:
bonds (distance) C4'-P energy: -106.192
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -129.878
flat angles P-C4'-P energy: -91.390
tors. eta vs tors. theta energy: -165.824
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: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1708.453024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.453024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.453024 (E_RNA)
where:
Base-Base interactions energy: -1155.148
where: short stacking energy: -505.085
Base-Backbone interact. energy: 1.699
local terms energy: -555.004050
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -103.106
flat angles C4'-P-C4' energy: -115.724
flat angles P-C4'-P energy: -91.426
tors. eta vs tors. theta energy: -143.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1657.803586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.803586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.803586 (E_RNA)
where:
Base-Base interactions energy: -1139.669
where: short stacking energy: -501.827
Base-Backbone interact. energy: 2.397
local terms energy: -520.531481
where:
bonds (distance) C4'-P energy: -94.307
bonds (distance) P-C4' energy: -96.822
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -87.834
tors. eta vs tors. theta energy: -141.440
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: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1662.713425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.713425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.713425 (E_RNA)
where:
Base-Base interactions energy: -1141.879
where: short stacking energy: -506.659
Base-Backbone interact. energy: 1.022
local terms energy: -521.856556
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -100.315
flat angles C4'-P-C4' energy: -96.897
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -142.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1572.956316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.956316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.956316 (E_RNA)
where:
Base-Base interactions energy: -1057.886
where: short stacking energy: -485.645
Base-Backbone interact. energy: -1.225
local terms energy: -513.845988
where:
bonds (distance) C4'-P energy: -97.643
bonds (distance) P-C4' energy: -92.287
flat angles C4'-P-C4' energy: -111.669
flat angles P-C4'-P energy: -72.958
tors. eta vs tors. theta energy: -139.289
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: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1388.457179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.457179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.457179 (E_RNA)
where:
Base-Base interactions energy: -919.180
where: short stacking energy: -406.625
Base-Backbone interact. energy: -3.539
local terms energy: -465.738113
where:
bonds (distance) C4'-P energy: -82.155
bonds (distance) P-C4' energy: -86.515
flat angles C4'-P-C4' energy: -117.154
flat angles P-C4'-P energy: -68.586
tors. eta vs tors. theta energy: -111.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1187.516022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.516022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.516022 (E_RNA)
where:
Base-Base interactions energy: -788.552
where: short stacking energy: -356.952
Base-Backbone interact. energy: 0.213
local terms energy: -399.177667
where:
bonds (distance) C4'-P energy: -85.512
bonds (distance) P-C4' energy: -96.043
flat angles C4'-P-C4' energy: -100.963
flat angles P-C4'-P energy: -52.701
tors. eta vs tors. theta energy: -63.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -862.875469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.875469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.875469 (E_RNA)
where:
Base-Base interactions energy: -502.348
where: short stacking energy: -234.841
Base-Backbone interact. energy: -0.182
local terms energy: -360.345989
where:
bonds (distance) C4'-P energy: -93.668
bonds (distance) P-C4' energy: -96.427
flat angles C4'-P-C4' energy: -80.882
flat angles P-C4'-P energy: -62.428
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -444.613954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.613954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.613954 (E_RNA)
where:
Base-Base interactions energy: -184.501
where: short stacking energy: -145.253
Base-Backbone interact. energy: 1.070
local terms energy: -261.183017
where:
bonds (distance) C4'-P energy: -93.149
bonds (distance) P-C4' energy: -82.210
flat angles C4'-P-C4' energy: -75.444
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: 25.473
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: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1892.178563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.178563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.178563 (E_RNA)
where:
Base-Base interactions energy: -1299.501
where: short stacking energy: -555.187
Base-Backbone interact. energy: -0.647
local terms energy: -592.030575
where:
bonds (distance) C4'-P energy: -116.551
bonds (distance) P-C4' energy: -104.683
flat angles C4'-P-C4' energy: -124.088
flat angles P-C4'-P energy: -84.727
tors. eta vs tors. theta energy: -161.982
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: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1803.630784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.630784 (E_RNA)
where:
Base-Base interactions energy: -1227.884
where: short stacking energy: -543.547
Base-Backbone interact. energy: -2.541
local terms energy: -573.206421
where:
bonds (distance) C4'-P energy: -105.035
bonds (distance) P-C4' energy: -102.810
flat angles C4'-P-C4' energy: -115.298
flat angles P-C4'-P energy: -87.337
tors. eta vs tors. theta energy: -162.726
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: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1696.253928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.253928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.253928 (E_RNA)
where:
Base-Base interactions energy: -1175.164
where: short stacking energy: -513.599
Base-Backbone interact. energy: -2.295
local terms energy: -518.795034
where:
bonds (distance) C4'-P energy: -88.052
bonds (distance) P-C4' energy: -102.694
flat angles C4'-P-C4' energy: -123.361
flat angles P-C4'-P energy: -70.573
tors. eta vs tors. theta energy: -134.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1642.198797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.198797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.198797 (E_RNA)
where:
Base-Base interactions energy: -1116.202
where: short stacking energy: -486.970
Base-Backbone interact. energy: -1.612
local terms energy: -524.383922
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -108.318
flat angles P-C4'-P energy: -78.039
tors. eta vs tors. theta energy: -136.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1580.625258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.625258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.625258 (E_RNA)
where:
Base-Base interactions energy: -1076.197
where: short stacking energy: -470.184
Base-Backbone interact. energy: -3.028
local terms energy: -501.400272
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -92.367
flat angles C4'-P-C4' energy: -109.572
flat angles P-C4'-P energy: -74.912
tors. eta vs tors. theta energy: -132.780
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: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1546.471941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.471941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.471941 (E_RNA)
where:
Base-Base interactions energy: -1033.074
where: short stacking energy: -434.677
Base-Backbone interact. energy: 0.687
local terms energy: -514.084963
where:
bonds (distance) C4'-P energy: -109.041
bonds (distance) P-C4' energy: -104.539
flat angles C4'-P-C4' energy: -115.933
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -120.367
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: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1373.282056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.282056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.282056 (E_RNA)
where:
Base-Base interactions energy: -929.924
where: short stacking energy: -390.181
Base-Backbone interact. energy: -1.650
local terms energy: -441.708006
where:
bonds (distance) C4'-P energy: -97.726
bonds (distance) P-C4' energy: -91.749
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -68.390
tors. eta vs tors. theta energy: -94.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1191.352866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.352866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.352866 (E_RNA)
where:
Base-Base interactions energy: -764.308
where: short stacking energy: -335.613
Base-Backbone interact. energy: 2.372
local terms energy: -429.416840
where:
bonds (distance) C4'-P energy: -91.282
bonds (distance) P-C4' energy: -97.475
flat angles C4'-P-C4' energy: -114.295
flat angles P-C4'-P energy: -59.517
tors. eta vs tors. theta energy: -66.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -853.314266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.314266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.314266 (E_RNA)
where:
Base-Base interactions energy: -529.927
where: short stacking energy: -265.310
Base-Backbone interact. energy: 2.986
local terms energy: -326.373767
where:
bonds (distance) C4'-P energy: -66.466
bonds (distance) P-C4' energy: -86.713
flat angles C4'-P-C4' energy: -89.926
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -441.822112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.822112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.822112 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -122.404
Base-Backbone interact. energy: -2.618
local terms energy: -273.503498
where:
bonds (distance) C4'-P energy: -99.449
bonds (distance) P-C4' energy: -92.072
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: 9.170
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: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1884.089248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.089248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.089248 (E_RNA)
where:
Base-Base interactions energy: -1295.957
where: short stacking energy: -558.248
Base-Backbone interact. energy: -2.893
local terms energy: -585.239041
where:
bonds (distance) C4'-P energy: -106.200
bonds (distance) P-C4' energy: -111.252
flat angles C4'-P-C4' energy: -121.951
flat angles P-C4'-P energy: -87.016
tors. eta vs tors. theta energy: -158.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1819.069475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.069475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.069475 (E_RNA)
where:
Base-Base interactions energy: -1240.438
where: short stacking energy: -537.834
Base-Backbone interact. energy: -3.181
local terms energy: -575.450830
where:
bonds (distance) C4'-P energy: -105.042
bonds (distance) P-C4' energy: -107.992
flat angles C4'-P-C4' energy: -117.944
flat angles P-C4'-P energy: -80.465
tors. eta vs tors. theta energy: -164.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1726.337780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.337780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.337780 (E_RNA)
where:
Base-Base interactions energy: -1180.878
where: short stacking energy: -525.172
Base-Backbone interact. energy: -2.054
local terms energy: -543.405796
where:
bonds (distance) C4'-P energy: -101.275
bonds (distance) P-C4' energy: -97.234
flat angles C4'-P-C4' energy: -123.673
flat angles P-C4'-P energy: -76.017
tors. eta vs tors. theta energy: -145.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1669.251826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.251826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.251826 (E_RNA)
where:
Base-Base interactions energy: -1139.830
where: short stacking energy: -517.670
Base-Backbone interact. energy: 0.330
local terms energy: -529.751652
where:
bonds (distance) C4'-P energy: -76.103
bonds (distance) P-C4' energy: -107.711
flat angles C4'-P-C4' energy: -114.640
flat angles P-C4'-P energy: -78.540
tors. eta vs tors. theta energy: -152.757
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: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1623.067871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.067871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.067871 (E_RNA)
where:
Base-Base interactions energy: -1111.920
where: short stacking energy: -481.378
Base-Backbone interact. energy: -1.421
local terms energy: -509.726478
where:
bonds (distance) C4'-P energy: -88.399
bonds (distance) P-C4' energy: -108.051
flat angles C4'-P-C4' energy: -105.496
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -136.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1558.210616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.210616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.210616 (E_RNA)
where:
Base-Base interactions energy: -1059.320
where: short stacking energy: -485.799
Base-Backbone interact. energy: 0.951
local terms energy: -499.841779
where:
bonds (distance) C4'-P energy: -85.902
bonds (distance) P-C4' energy: -103.111
flat angles C4'-P-C4' energy: -117.583
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: -133.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1409.368851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.368851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.368851 (E_RNA)
where:
Base-Base interactions energy: -950.245
where: short stacking energy: -416.317
Base-Backbone interact. energy: -1.545
local terms energy: -457.579213
where:
bonds (distance) C4'-P energy: -84.259
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -106.478
flat angles P-C4'-P energy: -62.143
tors. eta vs tors. theta energy: -109.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1129.332705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.332705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.332705 (E_RNA)
where:
Base-Base interactions energy: -717.222
where: short stacking energy: -334.317
Base-Backbone interact. energy: -0.779
local terms energy: -411.331182
where:
bonds (distance) C4'-P energy: -76.516
bonds (distance) P-C4' energy: -94.167
flat angles C4'-P-C4' energy: -96.066
flat angles P-C4'-P energy: -72.302
tors. eta vs tors. theta energy: -72.281
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: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -781.056775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.056775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.056775 (E_RNA)
where:
Base-Base interactions energy: -449.219
where: short stacking energy: -240.817
Base-Backbone interact. energy: 1.889
local terms energy: -333.727206
where:
bonds (distance) C4'-P energy: -92.639
bonds (distance) P-C4' energy: -82.113
flat angles C4'-P-C4' energy: -87.386
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -27.257
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: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -432.934281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.934281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.934281 (E_RNA)
where:
Base-Base interactions energy: -161.110
where: short stacking energy: -129.753
Base-Backbone interact. energy: 5.467
local terms energy: -277.290477
where:
bonds (distance) C4'-P energy: -74.924
bonds (distance) P-C4' energy: -98.387
flat angles C4'-P-C4' energy: -87.204
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: 24.854
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)